N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole

C124H88N6 — CID 159617132

IUPACN,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)ccc2n3-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H47N3.C60H41N3/c1-40-10-28-59-53(34-40)54-35-41(2)11-29-60(54)65(59)51-24-16-46(17-25-51)48-20-32-63-57(38-48)58-39-49(21-33-64(58)67(63)50-22-14-45(15-23-50)44-8-6-5-7-9-44)47-18-26-52(27-19-47)66-61-30-12-42(3)36-55(61)56-37-43(4)13-31-62(56)66;1-2-12-42(13-3-1)43-22-32-48(33-23-43)61(49-34-24-44(25-35-49)46-28-38-51(39-29-46)62-57-18-8-4-14-53(57)54-15-5-9-19-58(54)62)50-36-26-45(27-37-50)47-30-40-52(41-31-47)63-59-20-10-6-16-55(59)56-17-7-11-21-60(56)63/h5-39H,1-4H3;1-41H
InChIKeyMNKQICLLFXFBDH-UHFFFAOYSA-N
MW1662.11 g/mol
LogP33.56
Rot. Bonds14

About N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole

N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole (PubChem CID 159617132) has the molecular formula C124H88N6 and a molecular weight of 1662.11 g/mol. Its IUPAC name is N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound NameN,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
PubChem CID159617132
Molecular FormulaC124H88N6
Molecular Weight1662.11 g/mol
Exact Mass1660.71
IUPAC NameN,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)ccc2n3-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H47N3.C60H41N3/c1-40-10-28-59-53(34-40)54-35-41(2)11-29-60(54)65(59)51-24-16-46(17-25-51)48-20-32-63-57(38-48)58-39-49(21-33-64(58)67(63)50-22-14-45(15-23-50)44-8-6-5-7-9-44)47-18-26-52(27-19-47)66-61-30-12-42(3)36-55(61)56-37-43(4)13-31-62(56)66;1-2-12-42(13-3-1)43-22-32-48(33-23-43)61(49-34-24-44(25-35-49)46-28-38-51(39-29-46)62-57-18-8-4-14-53(57)54-15-5-9-19-58(54)62)50-36-26-45(27-37-50)47-30-40-52(41-31-47)63-59-20-10-6-16-55(59)56-17-7-11-21-60(56)63/h5-39H,1-4H3;1-41H
InChIKeyMNKQICLLFXFBDH-UHFFFAOYSA-N
XLogP33.56
TPSA27.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001662.11
LogP ≤ 533.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 153490348
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole (CID 159617132) is N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)ccc2n3-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The InChIKey is MNKQICLLFXFBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3.C60H41N3/c1-40-10-28-59-53(34-40)54-35-41(2)11-29-60(54)65(59)51-24-16-46(17-25-51)48-20-32-63-57(38-48)58-39-49(21-33-64(58)67(63)50-22-14-45(15-23-50)44-8-6-5-7-9-44)47-18-26-52(27-19-47)66-61-30-12-42(3)36-55(61)56-37-43(4)13-31-62(56)66;1-2-12-42(13-3-1)43-22-32-48(33-23-43)61(49-34-24-44(25-35-49)46-28-38-51(39-29-46)62-57-18-8-4-14-53(57)54-15-5-9-19-58(54)62)50-36-26-45(27-37-50)47-30-40-52(41-31-47)63-59-20-10-6-16-55(59)56-17-7-11-21-60(56)63/h5-39H,1-4H3;1-41H.
What are the key properties of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole?
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole has a molecular weight of 1662.11 g/mol, XLogP of 33.56, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 159617132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).