N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

C48H32N2O — CID 167086378

IUPACN-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H32N2O/c1-2-15-33(16-3-1)38-21-4-8-26-43(38)50(46-29-14-25-42-41-24-7-11-30-47(41)51-48(42)46)37-20-13-18-35(32-37)34-17-12-19-36(31-34)49-44-27-9-5-22-39(44)40-23-6-10-28-45(40)49/h1-32H
InChIKeyQBFHKPKCEAKXRP-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.49
Rot. Bonds6

About N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167086378) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
PubChem CID167086378
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC NameN-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H32N2O/c1-2-15-33(16-3-1)38-21-4-8-26-43(38)50(46-29-14-25-42-41-24-7-11-30-47(41)51-48(42)46)37-20-13-18-35(32-37)34-17-12-19-36(31-34)49-44-27-9-5-22-39(44)40-23-6-10-28-45(40)49/h1-32H
InChIKeyQBFHKPKCEAKXRP-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

4-(3-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176609319
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 164790749
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314668
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-7,9-diphenylcarbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 161122971
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline
CID 153315097
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153315084
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314971
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788380
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398630
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 162216331

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 167086378) is N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccccc2N(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is QBFHKPKCEAKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-2-15-33(16-3-1)38-21-4-8-26-43(38)50(46-29-14-25-42-41-24-7-11-30-47(41)51-48(42)46)37-20-13-18-35(32-37)34-17-12-19-36(31-34)49-44-27-9-5-22-39(44)40-23-6-10-28-45(40)49/h1-32H.
What are the key properties of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine 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-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167086378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).