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

C60H40N2O — CID 155398563

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-2-14-41(15-3-1)45-17-11-20-50(39-45)61(48-34-30-42(31-35-48)44-16-10-19-47(38-44)52-25-13-29-59-60(52)55-24-6-9-28-58(55)63-59)49-36-32-43(33-37-49)46-18-12-21-51(40-46)62-56-26-7-4-22-53(56)54-23-5-8-27-57(54)62/h1-40H
InChIKeyKGENTIXKHQSHSS-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline (PubChem CID 155398563) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
PubChem CID155398563
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-2-14-41(15-3-1)45-17-11-20-50(39-45)61(48-34-30-42(31-35-48)44-16-10-19-47(38-44)52-25-13-29-59-60(52)55-24-6-9-28-58(55)63-59)49-36-32-43(33-37-49)46-18-12-21-51(40-46)62-56-26-7-4-22-53(56)54-23-5-8-27-57(54)62/h1-40H
InChIKeyKGENTIXKHQSHSS-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
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-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline (CID 155398563) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline?
The InChIKey is KGENTIXKHQSHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-14-41(15-3-1)45-17-11-20-50(39-45)61(48-34-30-42(31-35-48)44-16-10-19-47(38-44)52-25-13-29-59-60(52)55-24-6-9-28-58(55)63-59)49-36-32-43(33-37-49)46-18-12-21-51(40-46)62-56-26-7-4-22-53(56)54-23-5-8-27-57(54)62/h1-40H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline is sourced from PubChem (CID 155398563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).