9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

C64H42N4 — CID 129092407

IUPAC9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
SMILESc1ccc(N2c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4cccc2c34)cc1
InChIInChI=1S/C64H42N4/c1-4-17-44(18-5-1)66-59-28-14-11-24-52(59)56-41-48(35-39-61(56)66)65(49-36-40-62-57(42-49)53-25-12-15-29-60(53)67(62)45-19-6-2-7-20-45)47-33-31-43(32-34-47)50-37-38-55-51-23-10-13-27-58(51)68(46-21-8-3-9-22-46)63-30-16-26-54(50)64(55)63/h1-42H
InChIKeyBHTVCKHYACTGNI-UHFFFAOYSA-N
MW867.07 g/mol
LogP17.62
Rot. Bonds7

About 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (PubChem CID 129092407) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
PubChem CID129092407
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
SMILESc1ccc(N2c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4cccc2c34)cc1
InChIInChI=1S/C64H42N4/c1-4-17-44(18-5-1)66-59-28-14-11-24-52(59)56-41-48(35-39-61(56)66)65(49-36-40-62-57(42-49)53-25-12-15-29-60(53)67(62)45-19-6-2-7-20-45)47-33-31-43(32-34-47)50-37-38-55-51-23-10-13-27-58(51)68(46-21-8-3-9-22-46)63-30-16-26-54(50)64(55)63/h1-42H
InChIKeyBHTVCKHYACTGNI-UHFFFAOYSA-N
XLogP17.62
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine with MolForge

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Related Compounds

N-naphthalen-1-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
CID 129092334
N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
CID 129092330
N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline
CID 129133998
N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 159696695
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 121357402
N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 129092254
N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 129133869
N-dibenzofuran-2-yl-8-phenyl-N-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
CID 129092397
N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 129092412
N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129092415
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (CID 129092407) is 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is c1ccc(N2c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4cccc2c34)cc1.
What is the InChIKey of 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The InChIKey is BHTVCKHYACTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-4-17-44(18-5-1)66-59-28-14-11-24-52(59)56-41-48(35-39-61(56)66)65(49-36-40-62-57(42-49)53-25-12-15-29-60(53)67(62)45-19-6-2-7-20-45)47-33-31-43(32-34-47)50-37-38-55-51-23-10-13-27-58(51)68(46-21-8-3-9-22-46)63-30-16-26-54(50)64(55)63/h1-42H.
What are the key properties of 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine has a molecular weight of 867.07 g/mol, XLogP of 17.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is sourced from PubChem (CID 129092407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).