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

C67H57N3 — CID 171404182

IUPAC18-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
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccccc5-c5ccc(C6CCCCC6)cc5)CC2CCC4C3)cc1
InChIInChI=1S/C67H57N3/c1-5-19-46(20-6-1)47-35-37-48(38-36-47)57-29-13-15-31-60(57)69(54-25-9-3-10-26-54)63-34-18-22-50-44-52-40-39-51-43-49-21-17-33-62(65(49)67(51,52)66(50)63)68(53-23-7-2-8-24-53)56-41-42-59-58-30-14-16-32-61(58)70(64(59)45-56)55-27-11-4-12-28-55/h2-4,7-18,21-38,41-42,45-46,51-52H,1,5-6,19-20,39-40,43-44H2
InChIKeyIHOIHTVPVQUYBE-UHFFFAOYSA-N
MW904.21 g/mol
LogP17.86
Rot. Bonds9

About 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

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 (PubChem CID 171404182) has the molecular formula C67H57N3 and a molecular weight of 904.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-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
PubChem CID171404182
Molecular FormulaC67H57N3
Molecular Weight904.21 g/mol
Exact Mass903.46
IUPAC Name18-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
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccccc5-c5ccc(C6CCCCC6)cc5)CC2CCC4C3)cc1
InChIInChI=1S/C67H57N3/c1-5-19-46(20-6-1)47-35-37-48(38-36-47)57-29-13-15-31-60(57)69(54-25-9-3-10-26-54)63-34-18-22-50-44-52-40-39-51-43-49-21-17-33-62(65(49)67(51,52)66(50)63)68(53-23-7-2-8-24-53)56-41-42-59-58-30-14-16-32-61(58)70(64(59)45-56)55-27-11-4-12-28-55/h2-4,7-18,21-38,41-42,45-46,51-52H,1,5-6,19-20,39-40,43-44H2
InChIKeyIHOIHTVPVQUYBE-UHFFFAOYSA-N
XLogP17.86
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.21
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-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 171404372
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
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
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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 177275872
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
1-N',3-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-1',3-diamine
CID 164838009
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccccc5-c5ccc(C6CCCCC6)cc5)CC2CCC4C3)cc1.
What is the InChIKey of 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?
The InChIKey is IHOIHTVPVQUYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N3/c1-5-19-46(20-6-1)47-35-37-48(38-36-47)57-29-13-15-31-60(57)69(54-25-9-3-10-26-54)63-34-18-22-50-44-52-40-39-51-43-49-21-17-33-62(65(49)67(51,52)66(50)63)68(53-23-7-2-8-24-53)56-41-42-59-58-30-14-16-32-61(58)70(64(59)45-56)55-27-11-4-12-28-55/h2-4,7-18,21-38,41-42,45-46,51-52H,1,5-6,19-20,39-40,43-44H2.
What are the key properties of 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?
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 has a molecular weight of 904.21 g/mol, XLogP of 17.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171404182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).