N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine

C144H97N3O6S2 — CID 157213900

IUPACN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc2C1(C)C.CC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2cc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c3)ccc2-1.c1ccc2c(c1)oc1cc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5c(ccc6sc7ccccc7c65)c4c3)ccc12
InChIInChI=1S/C54H39NOS.C48H35NO2.C42H23NO3S/c1-53(2)44-17-8-5-16-41(44)51-45(53)25-24-40-37-23-20-33(29-46(37)54(3,4)52(40)51)32-12-11-13-34(28-32)55(35-21-26-48-42(30-35)38-14-6-9-18-47(38)56-48)36-22-27-50-43(31-36)39-15-7-10-19-49(39)57-50;1-47(2)37-14-8-5-13-35(37)45-38(47)23-24-39-46(45)36-22-19-28(25-40(36)48(39,3)4)49(29-17-20-33-31-11-6-9-15-41(31)50-43(33)26-29)30-18-21-34-32-12-7-10-16-42(32)51-44(34)27-30;1-4-10-34-27(7-1)29-16-13-26(23-38(29)45-34)43(24-14-18-36-32(21-24)28-8-2-5-11-35(28)44-36)25-15-19-37-33(22-25)30-17-20-40-41(42(30)46-37)31-9-3-6-12-39(31)47-40/h5-31H,1-4H3;5-27H,1-4H3;1-23H
InChIKeyASEUPRIGEBPANS-UHFFFAOYSA-N
MW2029.51 g/mol
LogP42.49
Rot. Bonds10

About N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine

N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine (PubChem CID 157213900) has the molecular formula C144H97N3O6S2 and a molecular weight of 2029.51 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine
PubChem CID157213900
Molecular FormulaC144H97N3O6S2
Molecular Weight2029.51 g/mol
Exact Mass2027.68
IUPAC NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc2C1(C)C.CC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2cc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c3)ccc2-1.c1ccc2c(c1)oc1cc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5c(ccc6sc7ccccc7c65)c4c3)ccc12
InChIInChI=1S/C54H39NOS.C48H35NO2.C42H23NO3S/c1-53(2)44-17-8-5-16-41(44)51-45(53)25-24-40-37-23-20-33(29-46(37)54(3,4)52(40)51)32-12-11-13-34(28-32)55(35-21-26-48-42(30-35)38-14-6-9-18-47(38)56-48)36-22-27-50-43(31-36)39-15-7-10-19-49(39)57-50;1-47(2)37-14-8-5-13-35(37)45-38(47)23-24-39-46(45)36-22-19-28(25-40(36)48(39,3)4)49(29-17-20-33-31-11-6-9-15-41(31)50-43(33)26-29)30-18-21-34-32-12-7-10-16-42(32)51-44(34)27-30;1-4-10-34-27(7-1)29-16-13-26(23-38(29)45-34)43(24-14-18-36-32(21-24)28-8-2-5-11-35(28)44-36)25-15-19-37-33(22-25)30-17-20-40-41(42(30)46-37)31-9-3-6-12-39(31)47-40/h5-31H,1-4H3;5-27H,1-4H3;1-23H
InChIKeyASEUPRIGEBPANS-UHFFFAOYSA-N
XLogP42.49
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002029.51
LogP ≤ 542.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
N-dibenzothiophen-2-yl-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-phenyl-N-(20,20,21,21-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-yl)dibenzofuran-3-amine
CID 163871161
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177280961
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163965802
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050200
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
CID 168839723
N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 160712736
N-(9,9-dimethylfluoren-2-yl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)dibenzofuran-3-amine
CID 130464815
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 161432391
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-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine (CID 157213900) is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2c1ccc1c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc2C1(C)C.CC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2cc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c3)ccc2-1.c1ccc2c(c1)oc1cc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5c(ccc6sc7ccccc7c65)c4c3)ccc12.
What is the InChIKey of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is ASEUPRIGEBPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NOS.C48H35NO2.C42H23NO3S/c1-53(2)44-17-8-5-16-41(44)51-45(53)25-24-40-37-23-20-33(29-46(37)54(3,4)52(40)51)32-12-11-13-34(28-32)55(35-21-26-48-42(30-35)38-14-6-9-18-47(38)56-48)36-22-27-50-43(31-36)39-15-7-10-19-49(39)57-50;1-47(2)37-14-8-5-13-35(37)45-38(47)23-24-39-46(45)36-22-19-28(25-40(36)48(39,3)4)49(29-17-20-33-31-11-6-9-15-41(31)50-43(33)26-29)30-18-21-34-32-12-7-10-16-42(32)51-44(34)27-30;1-4-10-34-27(7-1)29-16-13-26(23-38(29)45-34)43(24-14-18-36-32(21-24)28-8-2-5-11-35(28)44-36)25-15-19-37-33(22-25)30-17-20-40-41(42(30)46-37)31-9-3-6-12-39(31)47-40/h5-31H,1-4H3;5-27H,1-4H3;1-23H.
What are the key properties of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine?
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 2029.51 g/mol, XLogP of 42.49, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 157213900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).