N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C58H38N2O — CID 166591712

IUPACN-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-3-13-39(14-4-1)42-23-29-46(30-24-42)59(48-33-25-41-17-7-8-18-44(41)35-48)47-31-26-43(27-32-47)53-37-49(38-54-52-20-10-12-22-57(52)61-58(53)54)60-55-21-11-9-19-50(55)51-34-28-45(36-56(51)60)40-15-5-2-6-16-40/h1-38H
InChIKeyIXDDFDYQVSFIMD-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 166591712) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID166591712
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-3-13-39(14-4-1)42-23-29-46(30-24-42)59(48-33-25-41-17-7-8-18-44(41)35-48)47-31-26-43(27-32-47)53-37-49(38-54-52-20-10-12-22-57(52)61-58(53)54)60-55-21-11-9-19-50(55)51-34-28-45(36-56(51)60)40-15-5-2-6-16-40/h1-38H
InChIKeyIXDDFDYQVSFIMD-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
CID 156521426
N-[4-(2-benzo[b]carbazol-5-yldibenzofuran-4-yl)phenyl]-N,4-diphenylaniline
CID 156558653
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 158717061
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 161031822
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176607836
9-(9-methyl-4-naphthalen-2-yldibenzofuran-2-yl)-2-phenylcarbazole
CID 167228801
N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-3-amine
CID 139571792
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 166591712) is N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is IXDDFDYQVSFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-3-13-39(14-4-1)42-23-29-46(30-24-42)59(48-33-25-41-17-7-8-18-44(41)35-48)47-31-26-43(27-32-47)53-37-49(38-54-52-20-10-12-22-57(52)61-58(53)54)60-55-21-11-9-19-50(55)51-34-28-45(36-56(51)60)40-15-5-2-6-16-40/h1-38H.
What are the key properties of N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 166591712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).