4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline

C54H37N3 — CID 174245460

IUPAC4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C54H37N3/c1-2-16-41(17-3-1)55(42-33-29-38(30-34-42)40-15-14-18-44(37-40)56-51-25-10-5-20-46(51)47-21-6-11-26-52(47)56)43-35-31-39(32-36-43)45-19-4-9-24-50(45)57-53-27-12-7-22-48(53)49-23-8-13-28-54(49)57/h1-37H
InChIKeyUKCCKUYUTXBOIW-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline

4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline (PubChem CID 174245460) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
PubChem CID174245460
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C54H37N3/c1-2-16-41(17-3-1)55(42-33-29-38(30-34-42)40-15-14-18-44(37-40)56-51-25-10-5-20-46(51)47-21-6-11-26-52(47)56)43-35-31-39(32-36-43)45-19-4-9-24-50(45)57-53-27-12-7-22-48(53)49-23-8-13-28-54(49)57/h1-37H
InChIKeyUKCCKUYUTXBOIW-UHFFFAOYSA-N
XLogP14.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 164832068
N-(3-carbazol-9-yl-4-phenylphenyl)-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 161317708

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline (CID 174245460) is 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline?
The InChIKey is UKCCKUYUTXBOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-2-16-41(17-3-1)55(42-33-29-38(30-34-42)40-15-14-18-44(37-40)56-51-25-10-5-20-46(51)47-21-6-11-26-52(47)56)43-35-31-39(32-36-43)45-19-4-9-24-50(45)57-53-27-12-7-22-48(53)49-23-8-13-28-54(49)57/h1-37H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline?
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline has a molecular weight of 727.91 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 174245460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).