9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine

C60H41N3 — CID 177077824

IUPAC9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C60H41N3/c1-4-19-42(20-5-1)44-23-16-27-48(39-44)62(58-36-18-35-57-60(58)53-31-12-15-34-56(53)61(57)47-25-8-3-9-26-47)54-32-13-10-29-50(54)46-37-38-52-51-30-11-14-33-55(51)63(59(52)41-46)49-28-17-24-45(40-49)43-21-6-2-7-22-43/h1-41H
InChIKeySNXZQIOINQPNHX-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.35
Rot. Bonds8

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

9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine (PubChem CID 177077824) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine.

Molecular Properties

Compound Name9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
PubChem CID177077824
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C60H41N3/c1-4-19-42(20-5-1)44-23-16-27-48(39-44)62(58-36-18-35-57-60(58)53-31-12-15-34-56(53)61(57)47-25-8-3-9-26-47)54-32-13-10-29-50(54)46-37-38-52-51-30-11-14-33-55(51)63(59(52)41-46)49-28-17-24-45(40-49)43-21-6-2-7-22-43/h1-41H
InChIKeySNXZQIOINQPNHX-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

9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 170286782
N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286478
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 167195348
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
9-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-4-amine
CID 174257736
N,N-bis(3-phenylphenyl)-2-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]aniline;N,N-diphenyl-2-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]aniline;N,N-diphenyl-2-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]aniline
CID 159939662
N,N-diphenyl-3-[3-(2-phenylcarbazol-9-yl)phenyl]aniline
CID 121312804

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine?
The IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine (CID 177077824) is 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine.
What is the SMILES notation for 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine?
The canonical SMILES for 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine is c1ccc(-c2cccc(N(c3ccccc3-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine?
The InChIKey is SNXZQIOINQPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-4-19-42(20-5-1)44-23-16-27-48(39-44)62(58-36-18-35-57-60(58)53-31-12-15-34-56(53)61(57)47-25-8-3-9-26-47)54-32-13-10-29-50(54)46-37-38-52-51-30-11-14-33-55(51)63(59(52)41-46)49-28-17-24-45(40-49)43-21-6-2-7-22-43/h1-41H.
What are the key properties of 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine?
9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-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 9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine is sourced from PubChem (CID 177077824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).