5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine

C60H41N3 — CID 169009961

IUPAC5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C60H41N3/c1-5-18-42(19-6-1)45-22-15-27-49(40-45)61(48-36-34-44(35-37-48)52-30-17-32-56-59(52)53-28-13-14-31-55(53)62(56)46-23-9-3-10-24-46)50-38-39-54-58(41-50)63(47-25-11-4-12-26-47)57-33-16-29-51(60(54)57)43-20-7-2-8-21-43/h1-41H
InChIKeyQOQUYXMJWHGKJP-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.35
Rot. Bonds8

About 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine

5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine (PubChem CID 169009961) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
PubChem CID169009961
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C60H41N3/c1-5-18-42(19-6-1)45-22-15-27-49(40-45)61(48-36-34-44(35-37-48)52-30-17-32-56-59(52)53-28-13-14-31-55(53)62(56)46-23-9-3-10-24-46)50-38-39-54-58(41-50)63(47-25-11-4-12-26-47)57-33-16-29-51(60(54)57)43-20-7-2-8-21-43/h1-41H
InChIKeyQOQUYXMJWHGKJP-UHFFFAOYSA-N
XLogP16.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
CID 170286553
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?
The IUPAC name of 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine (CID 169009961) is 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?
The InChIKey is QOQUYXMJWHGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-5-18-42(19-6-1)45-22-15-27-49(40-45)61(48-36-34-44(35-37-48)52-30-17-32-56-59(52)53-28-13-14-31-55(53)62(56)46-23-9-3-10-24-46)50-38-39-54-58(41-50)63(47-25-11-4-12-26-47)57-33-16-29-51(60(54)57)43-20-7-2-8-21-43/h1-41H.
What are the key properties of 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 804.01 g/mol, XLogP of 16.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169009961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).