N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine

C279H174N6O6S9 — CID 158391845

IUPACN-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3Sc3cc4c(cc31)oc1ccccc14)c1ccccc1-2)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Sc1cc3c(cc1C21c2ccccc2-c2ccccc21)oc1ccccc13)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Sc1cc3c(cc1C21c2ccccc2-c2ccccc21)sc1ccccc13)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4cc5c(cc42)oc2ccccc25)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4cc5c(cc42)sc2ccccc25)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cc4c(cc2C32c3ccccc3-c3ccccc32)sc2ccccc24)cc1
InChIInChI=1S/2C50H31NO2S.C50H31NOS2.C43H27NOS.2C43H27NS2/c1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-11-24-45(34)53-49(36)43)31-25-26-40-47(27-31)54-48-28-37-35-17-6-10-23-44(35)52-46(37)29-41(48)50(40)38-19-7-3-14-32(38)33-15-4-8-20-39(33)50;1-30-13-2-8-20-42(30)51(43-21-12-17-36-34-15-4-10-23-45(34)53-49(36)43)31-25-26-33-32-14-3-6-18-38(32)50(40(33)27-31)39-19-7-11-24-47(39)54-48-28-37-35-16-5-9-22-44(35)52-46(37)29-41(48)50;1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-10-23-44(34)52-49(36)43)31-25-26-40-47(27-31)54-48-28-37-35-17-6-11-24-45(35)53-46(37)29-41(48)50(40)38-19-7-3-14-32(38)33-15-4-8-20-39(33)50;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-32-31-17-7-9-19-35(31)43(37(32)25-30)36-20-10-12-22-41(36)46-42-26-34-33-18-8-11-21-39(33)45-40(34)27-38(42)43;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-37-41(25-30)46-42-26-34-33-19-9-12-22-39(33)45-40(34)27-38(42)43(37)35-20-10-7-17-31(35)32-18-8-11-21-36(32)43;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-32-31-17-7-9-19-35(31)43(37(32)25-30)36-20-10-12-22-40(36)46-42-26-34-33-18-8-11-21-39(33)45-41(34)27-38(42)43/h3*2-29H,1H3;3*1-27H
InChIKeyGXBCOHQJSRWJEY-UHFFFAOYSA-N
MW3995.10 g/mol
LogP79.33
Rot. Bonds18

About N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine

N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine (PubChem CID 158391845) has the molecular formula C279H174N6O6S9 and a molecular weight of 3995.10 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine
PubChem CID158391845
Molecular FormulaC279H174N6O6S9
Molecular Weight3995.10 g/mol
Exact Mass3991.10
IUPAC NameN-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3Sc3cc4c(cc31)oc1ccccc14)c1ccccc1-2)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Sc1cc3c(cc1C21c2ccccc2-c2ccccc21)oc1ccccc13)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Sc1cc3c(cc1C21c2ccccc2-c2ccccc21)sc1ccccc13)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4cc5c(cc42)oc2ccccc25)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4cc5c(cc42)sc2ccccc25)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cc4c(cc2C32c3ccccc3-c3ccccc32)sc2ccccc24)cc1
InChIInChI=1S/2C50H31NO2S.C50H31NOS2.C43H27NOS.2C43H27NS2/c1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-11-24-45(34)53-49(36)43)31-25-26-40-47(27-31)54-48-28-37-35-17-6-10-23-44(35)52-46(37)29-41(48)50(40)38-19-7-3-14-32(38)33-15-4-8-20-39(33)50;1-30-13-2-8-20-42(30)51(43-21-12-17-36-34-15-4-10-23-45(34)53-49(36)43)31-25-26-33-32-14-3-6-18-38(32)50(40(33)27-31)39-19-7-11-24-47(39)54-48-28-37-35-16-5-9-22-44(35)52-46(37)29-41(48)50;1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-10-23-44(34)52-49(36)43)31-25-26-40-47(27-31)54-48-28-37-35-17-6-11-24-45(35)53-46(37)29-41(48)50(40)38-19-7-3-14-32(38)33-15-4-8-20-39(33)50;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-32-31-17-7-9-19-35(31)43(37(32)25-30)36-20-10-12-22-41(36)46-42-26-34-33-18-8-11-21-39(33)45-40(34)27-38(42)43;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-37-41(25-30)46-42-26-34-33-19-9-12-22-39(33)45-40(34)27-38(42)43(37)35-20-10-7-17-31(35)32-18-8-11-21-36(32)43;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-32-31-17-7-9-19-35(31)43(37(32)25-30)36-20-10-12-22-40(36)46-42-26-34-33-18-8-11-21-39(33)45-41(34)27-38(42)43/h3*2-29H,1H3;3*1-27H
InChIKeyGXBCOHQJSRWJEY-UHFFFAOYSA-N
XLogP79.33
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003995.10
LogP ≤ 579.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine with MolForge

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Related Compounds

N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine
CID 159568728
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine
CID 163426378
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine
CID 163958836
N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 159914253
N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 164992700
N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 176583430
2-N'-dibenzofuran-4-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-dibenzothiophen-2-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N'-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161223026
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463415
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine (CID 158391845) is N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine is Cc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3Sc3cc4c(cc31)oc1ccccc14)c1ccccc1-2)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Sc1cc3c(cc1C21c2ccccc2-c2ccccc21)oc1ccccc13)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Sc1cc3c(cc1C21c2ccccc2-c2ccccc21)sc1ccccc13)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4cc5c(cc42)oc2ccccc25)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4cc5c(cc42)sc2ccccc25)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cc4c(cc2C32c3ccccc3-c3ccccc32)sc2ccccc24)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine?
The InChIKey is GXBCOHQJSRWJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H31NO2S.C50H31NOS2.C43H27NOS.2C43H27NS2/c1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-11-24-45(34)53-49(36)43)31-25-26-40-47(27-31)54-48-28-37-35-17-6-10-23-44(35)52-46(37)29-41(48)50(40)38-19-7-3-14-32(38)33-15-4-8-20-39(33)50;1-30-13-2-8-20-42(30)51(43-21-12-17-36-34-15-4-10-23-45(34)53-49(36)43)31-25-26-33-32-14-3-6-18-38(32)50(40(33)27-31)39-19-7-11-24-47(39)54-48-28-37-35-16-5-9-22-44(35)52-46(37)29-41(48)50;1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-10-23-44(34)52-49(36)43)31-25-26-40-47(27-31)54-48-28-37-35-17-6-11-24-45(35)53-46(37)29-41(48)50(40)38-19-7-3-14-32(38)33-15-4-8-20-39(33)50;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-32-31-17-7-9-19-35(31)43(37(32)25-30)36-20-10-12-22-41(36)46-42-26-34-33-18-8-11-21-39(33)45-40(34)27-38(42)43;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-37-41(25-30)46-42-26-34-33-19-9-12-22-39(33)45-40(34)27-38(42)43(37)35-20-10-7-17-31(35)32-18-8-11-21-36(32)43;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-32-31-17-7-9-19-35(31)43(37(32)25-30)36-20-10-12-22-40(36)46-42-26-34-33-18-8-11-21-39(33)45-41(34)27-38(42)43/h3*2-29H,1H3;3*1-27H.
What are the key properties of N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine?
N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine has a molecular weight of 3995.10 g/mol, XLogP of 79.33, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine is sourced from PubChem (CID 158391845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).