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

C54H36N2O — CID 176609274

IUPAC4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc4c(oc5ccccc54)c3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-17-37(18-4-1)38-31-33-40(34-32-38)55(47-26-12-7-21-41(47)39-19-5-2-6-20-39)51-36-35-45-44-24-11-16-30-52(44)57-54(45)53(51)46-25-10-15-29-50(46)56-48-27-13-8-22-42(48)43-23-9-14-28-49(43)56/h1-36H
InChIKeyBTZMVBLBWVOLQW-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

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

4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 176609274) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID176609274
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc4c(oc5ccccc54)c3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-17-37(18-4-1)38-31-33-40(34-32-38)55(47-26-12-7-21-41(47)39-19-5-2-6-20-39)51-36-35-45-44-24-11-16-30-52(44)57-54(45)53(51)46-25-10-15-29-50(46)56-48-27-13-8-22-42(48)43-23-9-14-28-49(43)56/h1-36H
InChIKeyBTZMVBLBWVOLQW-UHFFFAOYSA-N
XLogP15.15
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
CID 139544518
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544729
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
CID 153314946
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139545483
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118086600
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 139544776
2-(2-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 139544521
4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608294

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 176609274) is 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc4c(oc5ccccc54)c3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is BTZMVBLBWVOLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-3-17-37(18-4-1)38-31-33-40(34-32-38)55(47-26-12-7-21-41(47)39-19-5-2-6-20-39)51-36-35-45-44-24-11-16-30-52(44)57-54(45)53(51)46-25-10-15-29-50(46)56-48-27-13-8-22-42(48)43-23-9-14-28-49(43)56/h1-36H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 728.90 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176609274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).