N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline

C48H32N2O — CID 155649256

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C48H32N2O/c1-2-12-33(13-3-1)35-14-10-15-39(32-35)49(36-26-24-34(25-27-36)40-19-11-23-47-48(40)43-18-6-9-22-46(43)51-47)37-28-30-38(31-29-37)50-44-20-7-4-16-41(44)42-17-5-8-21-45(42)50/h1-32H
InChIKeyKCSHYCRUMHQIFI-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.49
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline (PubChem CID 155649256) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
PubChem CID155649256
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C48H32N2O/c1-2-12-33(13-3-1)35-14-10-15-39(32-35)49(36-26-24-34(25-27-36)40-19-11-23-47-48(40)43-18-6-9-22-46(43)51-47)37-28-30-38(31-29-37)50-44-20-7-4-16-41(44)42-17-5-8-21-45(42)50/h1-32H
InChIKeyKCSHYCRUMHQIFI-UHFFFAOYSA-N
XLogP13.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
CID 155398018
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[4-(4-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(3-phenylphenyl)phenanthren-2-amine
CID 155398335

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline (CID 155649256) is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline?
The InChIKey is KCSHYCRUMHQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-2-12-33(13-3-1)35-14-10-15-39(32-35)49(36-26-24-34(25-27-36)40-19-11-23-47-48(40)43-18-6-9-22-46(43)51-47)37-28-30-38(31-29-37)50-44-20-7-4-16-41(44)42-17-5-8-21-45(42)50/h1-32H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline?
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline has a molecular weight of 652.80 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 155649256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).