9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine

C54H38N2 — CID 90351080

IUPAC9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-4-12-39(13-5-1)41-20-24-43(25-21-41)45-28-32-48(33-29-45)55(49-34-30-46(31-35-49)44-26-22-42(23-27-44)40-14-6-2-7-15-40)50-36-37-52-51-18-10-11-19-53(51)56(54(52)38-50)47-16-8-3-9-17-47/h1-38H
InChIKeyIMKYAKIOCTVSLQ-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine

9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 90351080) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID90351080
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-4-12-39(13-5-1)41-20-24-43(25-21-41)45-28-32-48(33-29-45)55(49-34-30-46(31-35-49)44-26-22-42(23-27-44)40-14-6-2-7-15-40)50-36-37-52-51-18-10-11-19-53(51)56(54(52)38-50)47-16-8-3-9-17-47/h1-38H
InChIKeyIMKYAKIOCTVSLQ-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

9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 90351080) is 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is IMKYAKIOCTVSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-12-39(13-5-1)41-20-24-43(25-21-41)45-28-32-48(33-29-45)55(49-34-30-46(31-35-49)44-26-22-42(23-27-44)40-14-6-2-7-15-40)50-36-37-52-51-18-10-11-19-53(51)56(54(52)38-50)47-16-8-3-9-17-47/h1-38H.
What are the key properties of 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine 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 9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 90351080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).