2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline

C60H42N2 — CID 177073316

IUPAC2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C60H42N2/c1-6-16-43(17-7-1)48-26-33-53(34-27-48)61(54-35-28-49(29-36-54)44-18-8-2-9-19-44)59-39-32-52(47-24-14-5-15-25-47)42-60(59)62-57-37-30-50(45-20-10-3-11-21-45)40-55(57)56-41-51(31-38-58(56)62)46-22-12-4-13-23-46/h1-42H
InChIKeyMBNIMCJUXYRCOY-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

About 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline

2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 177073316) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline
PubChem CID177073316
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C60H42N2/c1-6-16-43(17-7-1)48-26-33-53(34-27-48)61(54-35-28-49(29-36-54)44-18-8-2-9-19-44)59-39-32-52(47-24-14-5-15-25-47)42-60(59)62-57-37-30-50(45-20-10-3-11-21-45)40-55(57)56-41-51(31-38-58(56)62)46-22-12-4-13-23-46/h1-42H
InChIKeyMBNIMCJUXYRCOY-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 177073320
1-N,3-N-bis[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-5-N-[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 157297321
1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59815961
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 177073327
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylcarbazol-3-yl)phenyl]pyrene-1,6-diamine
CID 89491387
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline (CID 177073316) is 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is MBNIMCJUXYRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-6-16-43(17-7-1)48-26-33-53(34-27-48)61(54-35-28-49(29-36-54)44-18-8-2-9-19-44)59-39-32-52(47-24-14-5-15-25-47)42-60(59)62-57-37-30-50(45-20-10-3-11-21-45)40-55(57)56-41-51(31-38-58(56)62)46-22-12-4-13-23-46/h1-42H.
What are the key properties of 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 791.01 g/mol, XLogP of 16.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 177073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).