3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C65H57N3 — CID 171404138

IUPAC3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(N(c2ccc(C34CC5CCC3CC(C5)C4)cc2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)CC2CCC4C3)cc1
InChIInChI=1S/C65H57N3/c1-4-16-51(17-5-1)66(54-32-30-47(31-33-54)64-41-43-26-27-48(64)37-44(36-43)42-64)59-24-12-14-45-38-49-28-29-50-39-46-15-13-25-60(63(46)65(49,50)62(45)59)67(52-18-6-2-7-19-52)55-34-35-57-56-22-10-11-23-58(56)68(61(57)40-55)53-20-8-3-9-21-53/h1-25,30-35,40,43-44,48-50H,26-29,36-39,41-42H2
InChIKeySNRUISPOXAQCAF-UHFFFAOYSA-N
MW880.19 g/mol
LogP16.62
Rot. Bonds8

About 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404138) has the molecular formula C65H57N3 and a molecular weight of 880.19 g/mol. Its IUPAC name is 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

Compound Name3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404138
Molecular FormulaC65H57N3
Molecular Weight880.19 g/mol
Exact Mass879.46
IUPAC Name3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(N(c2ccc(C34CC5CCC3CC(C5)C4)cc2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)CC2CCC4C3)cc1
InChIInChI=1S/C65H57N3/c1-4-16-51(17-5-1)66(54-32-30-47(31-33-54)64-41-43-26-27-48(64)37-44(36-43)42-64)59-24-12-14-45-38-49-28-29-50-39-46-15-13-25-60(63(46)65(49,50)62(45)59)67(52-18-6-2-7-19-52)55-34-35-57-56-22-10-11-23-58(56)68(61(57)40-55)53-20-8-3-9-21-53/h1-25,30-35,40,43-44,48-50H,26-29,36-39,41-42H2
InChIKeySNRUISPOXAQCAF-UHFFFAOYSA-N
XLogP16.62
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.19
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine with MolForge

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Related Compounds

18-N-[2-(4-cyclohexylphenyl)phenyl]-3-N,18-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404182
3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404296
18-N-[4-(1-adamantyl)phenyl]-18-N-dibenzothiophen-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404125
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine
CID 166508676
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
2-chloro-1-N,3-N-diphenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 118220371
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001
3-N-[4-(1-adamantyl)phenyl]-18-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404029
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141

Frequently Asked Questions

What is the IUPAC name of 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The IUPAC name of 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404138) is 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.
What is the SMILES notation for 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The canonical SMILES for 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is c1ccc(N(c2ccc(C34CC5CCC3CC(C5)C4)cc2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)CC2CCC4C3)cc1.
What is the InChIKey of 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The InChIKey is SNRUISPOXAQCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H57N3/c1-4-16-51(17-5-1)66(54-32-30-47(31-33-54)64-41-43-26-27-48(64)37-44(36-43)42-64)59-24-12-14-45-38-49-28-29-50-39-46-15-13-25-60(63(46)65(49,50)62(45)59)67(52-18-6-2-7-19-52)55-34-35-57-56-22-10-11-23-58(56)68(61(57)40-55)53-20-8-3-9-21-53/h1-25,30-35,40,43-44,48-50H,26-29,36-39,41-42H2.
What are the key properties of 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 880.19 g/mol, XLogP of 16.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).