8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine

C58H38N2O — CID 174307685

IUPAC8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5cccc6oc7ccccc7c56)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-17-39(18-5-1)40-31-34-45(35-32-40)59(51-28-14-12-24-46(51)41-19-6-2-7-20-41)53-38-42-21-10-11-25-48(42)58-57(53)50-37-43(33-36-52(50)60(58)44-22-8-3-9-23-44)47-27-16-30-55-56(47)49-26-13-15-29-54(49)61-55/h1-38H
InChIKeyZAYFKBJAEMTKGM-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine

8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine (PubChem CID 174307685) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine.

Molecular Properties

Compound Name8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
PubChem CID174307685
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5cccc6oc7ccccc7c56)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-17-39(18-5-1)40-31-34-45(35-32-40)59(51-28-14-12-24-46(51)41-19-6-2-7-20-41)53-38-42-21-10-11-25-48(42)58-57(53)50-37-43(33-36-52(50)60(58)44-22-8-3-9-23-44)47-27-16-30-55-56(47)49-26-13-15-29-54(49)61-55/h1-38H
InChIKeyZAYFKBJAEMTKGM-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

8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307730
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline
CID 155649226
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790835
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298823
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The IUPAC name of 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine (CID 174307685) is 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine.
What is the SMILES notation for 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The canonical SMILES for 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5cccc6oc7ccccc7c56)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The InChIKey is ZAYFKBJAEMTKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-17-39(18-5-1)40-31-34-45(35-32-40)59(51-28-14-12-24-46(51)41-19-6-2-7-20-41)53-38-42-21-10-11-25-48(42)58-57(53)50-37-43(33-36-52(50)60(58)44-22-8-3-9-23-44)47-27-16-30-55-56(47)49-26-13-15-29-54(49)61-55/h1-38H.
What are the key properties of 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-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 8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine is sourced from PubChem (CID 174307685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).