N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline

C46H32N2 — CID 171457249

IUPACN-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-3-14-33(15-4-1)34-26-28-38(29-27-34)47(44-24-11-9-22-41(44)35-16-5-2-6-17-35)39-20-13-21-40(32-39)48-45-25-12-10-23-42(45)43-30-36-18-7-8-19-37(36)31-46(43)48/h1-32H
InChIKeyBRUYSIFDSACOAD-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline

N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 171457249) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID171457249
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-3-14-33(15-4-1)34-26-28-38(29-27-34)47(44-24-11-9-22-41(44)35-16-5-2-6-17-35)39-20-13-21-40(32-39)48-45-25-12-10-23-42(45)43-30-36-18-7-8-19-37(36)31-46(43)48/h1-32H
InChIKeyBRUYSIFDSACOAD-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502466
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 146228501
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 158749383
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235229
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167234431
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline (CID 171457249) is N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BRUYSIFDSACOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-14-33(15-4-1)34-26-28-38(29-27-34)47(44-24-11-9-22-41(44)35-16-5-2-6-17-35)39-20-13-21-40(32-39)48-45-25-12-10-23-42(45)43-30-36-18-7-8-19-37(36)31-46(43)48/h1-32H.
What are the key properties of N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171457249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).