N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine

C53H38N2 — CID 177128321

IUPACN-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
SMILESCc1cccc2c1c1ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)cc1n2-c1ccccc1
InChIInChI=1S/C53H38N2/c1-37-17-16-28-49-52(37)47-33-31-44(36-51(47)55(49)42-25-12-5-13-26-42)54(50-34-29-40-22-14-15-27-46(40)53(50)41-23-10-4-11-24-41)43-30-32-45(38-18-6-2-7-19-38)48(35-43)39-20-8-3-9-21-39/h2-36H,1H3
InChIKeyQWIJBVVBEZQIBV-UHFFFAOYSA-N
MW702.90 g/mol
LogP14.72
Rot. Bonds7

About N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine

N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine (PubChem CID 177128321) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
PubChem CID177128321
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
SMILESCc1cccc2c1c1ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)cc1n2-c1ccccc1
InChIInChI=1S/C53H38N2/c1-37-17-16-28-49-52(37)47-33-31-44(36-51(47)55(49)42-25-12-5-13-26-42)54(50-34-29-40-22-14-15-27-46(40)53(50)41-23-10-4-11-24-41)43-30-32-45(38-18-6-2-7-19-38)48(35-43)39-20-8-3-9-21-39/h2-36H,1H3
InChIKeyQWIJBVVBEZQIBV-UHFFFAOYSA-N
XLogP14.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128347
N-(3,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)-9-(4-phenylphenyl)carbazol-2-amine
CID 177128422
N-[4-(2,4-diphenylphenyl)phenyl]-5,7-dimethyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128376
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
CID 162446856
CID 162446856
N-phenanthren-2-yl-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-4-amine
CID 172501232
9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine
CID 176850918
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
5-naphthalen-2-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 169010505
N-(2,3-diphenylphenyl)-9-phenyl-N-(6-phenylnaphthalen-2-yl)carbazol-2-amine
CID 165394959
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 164774440
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine (CID 177128321) is N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine is Cc1cccc2c1c1ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)cc1n2-c1ccccc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
The InChIKey is QWIJBVVBEZQIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-37-17-16-28-49-52(37)47-33-31-44(36-51(47)55(49)42-25-12-5-13-26-42)54(50-34-29-40-22-14-15-27-46(40)53(50)41-23-10-4-11-24-41)43-30-32-45(38-18-6-2-7-19-38)48(35-43)39-20-8-3-9-21-39/h2-36H,1H3.
What are the key properties of N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine has a molecular weight of 702.90 g/mol, XLogP of 14.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine is sourced from PubChem (CID 177128321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).