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

C120H82N6 — CID 158023150

IUPAC3,6-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
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C60H39N3.C60H43N3/c1-2-12-40(13-3-1)41-22-30-48(31-23-41)63-59-36-28-44(42-24-32-46(33-25-42)61-55-18-8-4-14-49(55)50-15-5-9-19-56(50)61)38-53(59)54-39-45(29-37-60(54)63)43-26-34-47(35-27-43)62-57-20-10-6-16-51(57)52-17-7-11-21-58(52)62;1-6-16-44(17-7-1)45-26-38-56(39-27-45)63-59-40-32-48(46-28-34-54(35-29-46)61(50-18-8-2-9-19-50)51-20-10-3-11-21-51)42-57(59)58-43-49(33-41-60(58)63)47-30-36-55(37-31-47)62(52-22-12-4-13-23-52)53-24-14-5-15-25-53/h1-39H;1-43H
InChIKeyFGHHAWZTVHDHQP-UHFFFAOYSA-N
MW1608.02 g/mol
LogP32.70
Rot. Bonds16

About 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

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 (PubChem CID 158023150) has the molecular formula C120H82N6 and a molecular weight of 1608.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID158023150
Molecular FormulaC120H82N6
Molecular Weight1608.02 g/mol
Exact Mass1606.66
IUPAC Name3,6-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
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C60H39N3.C60H43N3/c1-2-12-40(13-3-1)41-22-30-48(31-23-41)63-59-36-28-44(42-24-32-46(33-25-42)61-55-18-8-4-14-49(55)50-15-5-9-19-56(50)61)38-53(59)54-39-45(29-37-60(54)63)43-26-34-47(35-27-43)62-57-20-10-6-16-51(57)52-17-7-11-21-58(52)62;1-6-16-44(17-7-1)45-26-38-56(39-27-45)63-59-40-32-48(46-28-34-54(35-29-46)61(50-18-8-2-9-19-50)51-20-10-3-11-21-51)42-57(59)58-43-49(33-41-60(58)63)47-30-36-55(37-31-47)62(52-22-12-4-13-23-52)53-24-14-5-15-25-53/h1-39H;1-43H
InChIKeyFGHHAWZTVHDHQP-UHFFFAOYSA-N
XLogP32.70
TPSA26.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001608.02
LogP ≤ 532.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
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
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
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-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FGHHAWZTVHDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3.C60H43N3/c1-2-12-40(13-3-1)41-22-30-48(31-23-41)63-59-36-28-44(42-24-32-46(33-25-42)61-55-18-8-4-14-49(55)50-15-5-9-19-56(50)61)38-53(59)54-39-45(29-37-60(54)63)43-26-34-47(35-27-43)62-57-20-10-6-16-51(57)52-17-7-11-21-58(52)62;1-6-16-44(17-7-1)45-26-38-56(39-27-45)63-59-40-32-48(46-28-34-54(35-29-46)61(50-18-8-2-9-19-50)51-20-10-3-11-21-51)42-57(59)58-43-49(33-41-60(58)63)47-30-36-55(37-31-47)62(52-22-12-4-13-23-52)53-24-14-5-15-25-53/h1-39H;1-43H.
What are the key properties of 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?
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 has a molecular weight of 1608.02 g/mol, XLogP of 32.70, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158023150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).