9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine

C72H51N7 — CID 59844236

IUPAC9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc4c(c3)c3cc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ncccc56)ccc3n4-c3ccccc3)c3cccc4ncccc34)cc2)cc1
InChIInChI=1S/C72H51N7/c1-6-20-52(21-7-1)75(53-22-8-2-9-23-53)57-36-40-59(41-37-57)77(69-34-16-32-67-63(69)30-18-48-73-67)61-44-46-71-65(50-61)66-51-62(45-47-72(66)79(71)56-28-14-5-15-29-56)78(70-35-17-33-68-64(70)31-19-49-74-68)60-42-38-58(39-43-60)76(54-24-10-3-11-25-54)55-26-12-4-13-27-55/h1-51H
InChIKeyRZCGKSXWMPGQAR-UHFFFAOYSA-N
MW1014.25 g/mol
LogP19.76
Rot. Bonds13

About 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine

9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine (PubChem CID 59844236) has the molecular formula C72H51N7 and a molecular weight of 1014.25 g/mol. Its IUPAC name is 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine
PubChem CID59844236
Molecular FormulaC72H51N7
Molecular Weight1014.25 g/mol
Exact Mass1013.42
IUPAC Name9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc4c(c3)c3cc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ncccc56)ccc3n4-c3ccccc3)c3cccc4ncccc34)cc2)cc1
InChIInChI=1S/C72H51N7/c1-6-20-52(21-7-1)75(53-22-8-2-9-23-53)57-36-40-59(41-37-57)77(69-34-16-32-67-63(69)30-18-48-73-67)61-44-46-71-65(50-61)66-51-62(45-47-72(66)79(71)56-28-14-5-15-29-56)78(70-35-17-33-68-64(70)31-19-49-74-68)60-42-38-58(39-43-60)76(54-24-10-3-11-25-54)55-26-12-4-13-27-55/h1-51H
InChIKeyRZCGKSXWMPGQAR-UHFFFAOYSA-N
XLogP19.76
TPSA43.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.25
LogP ≤ 519.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine;N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 161083151
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
CID 59211139
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
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
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 59844234
N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[5-[3-[5-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[4-[4-[3-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]carbazol-3-amine
CID 158704413
N-[9,10-bis(3-pyridin-2-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine;N-[9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 162236994
3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine
CID 59844205
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine?
The IUPAC name of 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine (CID 59844236) is 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine.
What is the SMILES notation for 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine?
The canonical SMILES for 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccc4c(c3)c3cc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ncccc56)ccc3n4-c3ccccc3)c3cccc4ncccc34)cc2)cc1.
What is the InChIKey of 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine?
The InChIKey is RZCGKSXWMPGQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N7/c1-6-20-52(21-7-1)75(53-22-8-2-9-23-53)57-36-40-59(41-37-57)77(69-34-16-32-67-63(69)30-18-48-73-67)61-44-46-71-65(50-61)66-51-62(45-47-72(66)79(71)56-28-14-5-15-29-56)78(70-35-17-33-68-64(70)31-19-49-74-68)60-42-38-58(39-43-60)76(54-24-10-3-11-25-54)55-26-12-4-13-27-55/h1-51H.
What are the key properties of 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine?
9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine has a molecular weight of 1014.25 g/mol, XLogP of 19.76, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine is sourced from PubChem (CID 59844236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).