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

C186H116N4O6S4 — CID 159568728

IUPACN-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
SMILESCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)sc1ccccc14)c1ccccc1-2)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-c2ccccc21)sc1ccccc13)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4c(cc2C32c3ccccc3-c3ccccc32)sc2ccccc24)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cc4c(cc2C32c3ccccc3-c3ccccc32)oc2ccccc24)cc1
InChIInChI=1S/2C50H31NO2S.2C43H27NOS/c1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-10-23-44(34)53-49(36)43)31-25-26-40-45(27-31)52-46-28-37-35-17-6-11-24-47(35)54-48(37)29-41(46)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(43-21-12-17-36-34-15-4-9-22-44(34)53-49(36)43)31-25-26-33-32-14-3-6-18-38(32)50(40(33)27-31)39-19-7-10-23-45(39)52-46-28-37-35-16-5-11-24-47(35)54-48(37)29-41(46)50;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-37-39(25-30)45-40-26-34-33-19-9-12-22-41(33)46-42(34)27-38(40)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)30-23-24-37-41(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/h2*2-29H,1H3;2*1-27H
InChIKeyMHNRSWOGXICZOP-UHFFFAOYSA-N
MW2631.26 g/mol
LogP52.28
Rot. Bonds12

About 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

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 (PubChem CID 159568728) has the molecular formula C186H116N4O6S4 and a molecular weight of 2631.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID159568728
Molecular FormulaC186H116N4O6S4
Molecular Weight2631.26 g/mol
Exact Mass2628.78
IUPAC NameN-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
SMILESCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)sc1ccccc14)c1ccccc1-2)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-c2ccccc21)sc1ccccc13)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4c(cc2C32c3ccccc3-c3ccccc32)sc2ccccc24)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cc4c(cc2C32c3ccccc3-c3ccccc32)oc2ccccc24)cc1
InChIInChI=1S/2C50H31NO2S.2C43H27NOS/c1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-10-23-44(34)53-49(36)43)31-25-26-40-45(27-31)52-46-28-37-35-17-6-11-24-47(35)54-48(37)29-41(46)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(43-21-12-17-36-34-15-4-9-22-44(34)53-49(36)43)31-25-26-33-32-14-3-6-18-38(32)50(40(33)27-31)39-19-7-10-23-45(39)52-46-28-37-35-16-5-11-24-47(35)54-48(37)29-41(46)50;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-37-39(25-30)45-40-26-34-33-19-9-12-22-41(33)46-42(34)27-38(40)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)30-23-24-37-41(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/h2*2-29H,1H3;2*1-27H
InChIKeyMHNRSWOGXICZOP-UHFFFAOYSA-N
XLogP52.28
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002631.26
LogP ≤ 552.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
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-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine
CID 169305132
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
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,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
CID 167665378
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
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine;bis(N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine);N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 161266358
N-(9,9-dimethylfluoren-2-yl)-N-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'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-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'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine;N-phenyl-N-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'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 159821606

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)sc1ccccc14)c1ccccc1-2)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-c2ccccc21)sc1ccccc13)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4c(cc2C32c3ccccc3-c3ccccc32)sc2ccccc24)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cc4c(cc2C32c3ccccc3-c3ccccc32)oc2ccccc24)cc1.
What is the InChIKey of 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?
The InChIKey is MHNRSWOGXICZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H31NO2S.2C43H27NOS/c1-30-13-2-9-21-42(30)51(43-22-12-18-36-34-16-5-10-23-44(34)53-49(36)43)31-25-26-40-45(27-31)52-46-28-37-35-17-6-11-24-47(35)54-48(37)29-41(46)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(43-21-12-17-36-34-15-4-9-22-44(34)53-49(36)43)31-25-26-33-32-14-3-6-18-38(32)50(40(33)27-31)39-19-7-10-23-45(39)52-46-28-37-35-16-5-11-24-47(35)54-48(37)29-41(46)50;1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-24-37-39(25-30)45-40-26-34-33-19-9-12-22-41(33)46-42(34)27-38(40)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)30-23-24-37-41(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/h2*2-29H,1H3;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 2631.26 g/mol, XLogP of 52.28, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159568728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).