6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

C54H36N2 — CID 167038052

IUPAC6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-2-11-37(12-3-1)38-21-27-45(28-22-38)55(46-29-23-40(24-30-46)50-19-10-16-39-13-6-7-17-49(39)50)47-31-25-44-34-48(32-26-43(44)33-47)56-53-20-9-8-18-51(53)52-35-41-14-4-5-15-42(41)36-54(52)56/h1-36H
InChIKeyDADTWOVQXIRJQK-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 167038052) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID167038052
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-2-11-37(12-3-1)38-21-27-45(28-22-38)55(46-29-23-40(24-30-46)50-19-10-16-39-13-6-7-17-49(39)50)47-31-25-44-34-48(32-26-43(44)33-47)56-53-20-9-8-18-51(53)52-35-41-14-4-5-15-42(41)36-54(52)56/h1-36H
InChIKeyDADTWOVQXIRJQK-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 159528912
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157400056
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366

Frequently Asked Questions

What is the IUPAC name of 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (CID 167038052) is 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)cc2)cc1.
What is the InChIKey of 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is DADTWOVQXIRJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-11-37(12-3-1)38-21-27-45(28-22-38)55(46-29-23-40(24-30-46)50-19-10-16-39-13-6-7-17-49(39)50)47-31-25-44-34-48(32-26-43(44)33-47)56-53-20-9-8-18-51(53)52-35-41-14-4-5-15-42(41)36-54(52)56/h1-36H.
What are the key properties of 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167038052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).