2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline

C66H45N3 — CID 118289340

IUPAC2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H45N3/c1-6-20-46(21-7-1)47-34-37-65-60(43-47)61-45-49(36-39-66(61)69(65)56-28-14-5-15-29-56)51-40-50(48-35-38-64-59(44-48)58-31-17-19-33-63(58)68(64)55-26-12-4-13-27-55)41-52(42-51)57-30-16-18-32-62(57)67(53-22-8-2-9-23-53)54-24-10-3-11-25-54/h1-45H
InChIKeyRHZJBXORYQJCLF-UHFFFAOYSA-N
MW880.11 g/mol
LogP18.02
Rot. Bonds9

About 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline

2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline (PubChem CID 118289340) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
PubChem CID118289340
Molecular FormulaC66H45N3
Molecular Weight880.11 g/mol
Exact Mass879.36
IUPAC Name2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H45N3/c1-6-20-46(21-7-1)47-34-37-65-60(43-47)61-45-49(36-39-66(61)69(65)56-28-14-5-15-29-56)51-40-50(48-35-38-64-59(44-48)58-31-17-19-33-63(58)68(64)55-26-12-4-13-27-55)41-52(42-51)57-30-16-18-32-62(57)67(53-22-8-2-9-23-53)54-24-10-3-11-25-54/h1-45H
InChIKeyRHZJBXORYQJCLF-UHFFFAOYSA-N
XLogP18.02
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118087664
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-6-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158614914
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 142704370
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline (CID 118289340) is 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline is c1ccc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is RHZJBXORYQJCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3/c1-6-20-46(21-7-1)47-34-37-65-60(43-47)61-45-49(36-39-66(61)69(65)56-28-14-5-15-29-56)51-40-50(48-35-38-64-59(44-48)58-31-17-19-33-63(58)68(64)55-26-12-4-13-27-55)41-52(42-51)57-30-16-18-32-62(57)67(53-22-8-2-9-23-53)54-24-10-3-11-25-54/h1-45H.
What are the key properties of 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 880.11 g/mol, XLogP of 18.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118289340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).