N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline

C48H34N2 — CID 172502829

IUPACN-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C48H34N2/c1-3-18-35(19-4-1)39-24-7-8-25-40(39)41-26-9-10-27-42(41)43-28-11-14-31-46(43)49(36-20-5-2-6-21-36)37-22-17-23-38(34-37)50-47-32-15-12-29-44(47)45-30-13-16-33-48(45)50/h1-34H
InChIKeyMKANZYWLLDHTSD-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

About N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline

N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172502829) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172502829
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C48H34N2/c1-3-18-35(19-4-1)39-24-7-8-25-40(39)41-26-9-10-27-42(41)43-28-11-14-31-46(43)49(36-20-5-2-6-21-36)37-22-17-23-38(34-37)50-47-32-15-12-29-44(47)45-30-13-16-33-48(45)50/h1-34H
InChIKeyMKANZYWLLDHTSD-UHFFFAOYSA-N
XLogP13.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.25
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-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502247
N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 171457249
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112907
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N,N-bis(3-phenylphenyl)-2-[2-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 157255211

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172502829) is N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is MKANZYWLLDHTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-18-35(19-4-1)39-24-7-8-25-40(39)41-26-9-10-27-42(41)43-28-11-14-31-46(43)49(36-20-5-2-6-21-36)37-22-17-23-38(34-37)50-47-32-15-12-29-44(47)45-30-13-16-33-48(45)50/h1-34H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 638.81 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).