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

C54H38N2 — CID 177073320

IUPAC4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-39(16-6-1)43-25-31-47(32-26-43)55(48-33-27-44(28-34-48)40-17-7-2-8-18-40)53-36-30-46(42-21-11-4-12-22-42)38-54(53)56-51-24-14-13-23-49(51)50-37-45(29-35-52(50)56)41-19-9-3-10-20-41/h1-38H
InChIKeyBUFCLZOSJOUSTG-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

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

4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 177073320) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID177073320
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-39(16-6-1)43-25-31-47(32-26-43)55(48-33-27-44(28-34-48)40-17-7-2-8-18-40)53-36-30-46(42-21-11-4-12-22-42)38-54(53)56-51-24-14-13-23-49(51)50-37-45(29-35-52(50)56)41-19-9-3-10-20-41/h1-38H
InChIKeyBUFCLZOSJOUSTG-UHFFFAOYSA-N
XLogP14.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 177073316
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
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-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
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,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylcarbazol-3-yl)phenyl]pyrene-1,6-diamine
CID 89491387
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
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;4-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine
CID 157357490
4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158955630

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline (CID 177073320) is 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is BUFCLZOSJOUSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-15-39(16-6-1)43-25-31-47(32-26-43)55(48-33-27-44(28-34-48)40-17-7-2-8-18-40)53-36-30-46(42-21-11-4-12-22-42)38-54(53)56-51-24-14-13-23-49(51)50-37-45(29-35-52(50)56)41-19-9-3-10-20-41/h1-38H.
What are the key properties of 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 714.91 g/mol, XLogP of 14.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 177073320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).