N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine

C48H32N2O — CID 169010221

IUPACN-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cccc3c2c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-13-34(14-5-1)40-20-12-21-45-48(40)43-32-39(28-30-44(43)50(45)37-17-8-3-9-18-37)49(36-15-6-2-7-16-36)38-26-23-33(24-27-38)35-25-29-42-41-19-10-11-22-46(41)51-47(42)31-35/h1-32H
InChIKeyBZMJRWPUCXUKPW-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.49
Rot. Bonds6

About N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine

N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine (PubChem CID 169010221) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
PubChem CID169010221
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cccc3c2c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-13-34(14-5-1)40-20-12-21-45-48(40)43-32-39(28-30-44(43)50(45)37-17-8-3-9-18-37)49(36-15-6-2-7-16-36)38-26-23-33(24-27-38)35-25-29-42-41-19-10-11-22-46(41)51-47(42)31-35/h1-32H
InChIKeyBZMJRWPUCXUKPW-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-dibenzofuran-2-yl-9-phenyl-N,5-bis(4-phenylphenyl)carbazol-3-amine
CID 169010452
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine (CID 169010221) is N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine is c1ccc(-c2cccc3c2c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine?
The InChIKey is BZMJRWPUCXUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-4-13-34(14-5-1)40-20-12-21-45-48(40)43-32-39(28-30-44(43)50(45)37-17-8-3-9-18-37)49(36-15-6-2-7-16-36)38-26-23-33(24-27-38)35-25-29-42-41-19-10-11-22-46(41)51-47(42)31-35/h1-32H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine?
N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-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-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine is sourced from PubChem (CID 169010221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).