N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine

C66H44N4 — CID 148828998

IUPACN-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H44N4/c1-4-19-48(20-5-1)67(52-39-40-65-60(44-52)58-28-13-16-33-63(58)68(65)49-21-6-2-7-22-49)53-42-46(45-35-37-51(38-36-45)69-61-31-14-10-25-55(61)56-26-11-15-32-62(56)69)41-47(43-53)54-29-18-30-59-57-27-12-17-34-64(57)70(66(54)59)50-23-8-3-9-24-50/h1-44H
InChIKeyOTHMKEAREZRXCZ-UHFFFAOYSA-N
MW893.11 g/mol
LogP17.78
Rot. Bonds8

About N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine

N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 148828998) has the molecular formula C66H44N4 and a molecular weight of 893.11 g/mol. Its IUPAC name is N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID148828998
Molecular FormulaC66H44N4
Molecular Weight893.11 g/mol
Exact Mass892.36
IUPAC NameN-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H44N4/c1-4-19-48(20-5-1)67(52-39-40-65-60(44-52)58-28-13-16-33-63(58)68(65)49-21-6-2-7-22-49)53-42-46(45-35-37-51(38-36-45)69-61-31-14-10-25-55(61)56-26-11-15-32-62(56)69)41-47(43-53)54-29-18-30-59-57-27-12-17-34-64(57)70(66(54)59)50-23-8-3-9-24-50/h1-44H
InChIKeyOTHMKEAREZRXCZ-UHFFFAOYSA-N
XLogP17.78
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.11
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
CID 126631752
3-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline
CID 144861485
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 148828998) is N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is OTHMKEAREZRXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4/c1-4-19-48(20-5-1)67(52-39-40-65-60(44-52)58-28-13-16-33-63(58)68(65)49-21-6-2-7-22-49)53-42-46(45-35-37-51(38-36-45)69-61-31-14-10-25-55(61)56-26-11-15-32-62(56)69)41-47(43-53)54-29-18-30-59-57-27-12-17-34-64(57)70(66(54)59)50-23-8-3-9-24-50/h1-44H.
What are the key properties of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 893.11 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 148828998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).