N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine

C62H40N2 — CID 153308687

IUPACN-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2ccccc2C24c5ccccc5-c5ccccc5C32c2ccccc2-c2ccccc24)cc1
InChIInChI=1S/C62H40N2/c1-2-18-41(19-3-1)63(42-34-36-43(37-35-42)64-59-32-16-9-25-50(59)51-26-10-17-33-60(51)64)44-38-39-58-52(40-44)49-24-8-15-31-57(49)61-53-27-11-4-20-45(53)47-22-6-13-29-55(47)62(58,61)56-30-14-7-23-48(56)46-21-5-12-28-54(46)61/h1-40H
InChIKeyMKKIBWHSUQVTEC-UHFFFAOYSA-N
MW813.02 g/mol
LogP15.56
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine

N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine (PubChem CID 153308687) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine
PubChem CID153308687
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2ccccc2C24c5ccccc5-c5ccccc5C32c2ccccc2-c2ccccc24)cc1
InChIInChI=1S/C62H40N2/c1-2-18-41(19-3-1)63(42-34-36-43(37-35-42)64-59-32-16-9-25-50(59)51-26-10-17-33-60(51)64)44-38-39-58-52(40-44)49-24-8-15-31-57(49)61-53-27-11-4-20-45(53)47-22-6-13-29-55(47)62(58,61)56-30-14-7-23-48(56)46-21-5-12-28-54(46)61/h1-40H
InChIKeyMKKIBWHSUQVTEC-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine with MolForge

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Related Compounds

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2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
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9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
CID 168775000
3-N',3-N',5-N-triphenyl-5-N-(9-phenylcarbazol-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',5-diamine
CID 168774949
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine (CID 153308687) is N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2ccccc2C24c5ccccc5-c5ccccc5C32c2ccccc2-c2ccccc24)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine?
The InChIKey is MKKIBWHSUQVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-2-18-41(19-3-1)63(42-34-36-43(37-35-42)64-59-32-16-9-25-50(59)51-26-10-17-33-60(51)64)44-38-39-58-52(40-44)49-24-8-15-31-57(49)61-53-27-11-4-20-45(53)47-22-6-13-29-55(47)62(58,61)56-30-14-7-23-48(56)46-21-5-12-28-54(46)61/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine?
N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine has a molecular weight of 813.02 g/mol, XLogP of 15.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine is sourced from PubChem (CID 153308687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).