N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline

C54H36N2O — CID 153315131

IUPACN-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc1
InChIInChI=1S/C54H36N2O/c1-2-13-37(14-3-1)39-15-10-16-40(33-39)41-17-11-18-44(34-41)55(43-30-27-38(28-31-43)42-29-32-50-49-23-6-9-26-53(49)57-54(50)35-42)45-19-12-20-46(36-45)56-51-24-7-4-21-47(51)48-22-5-8-25-52(48)56/h1-36H
InChIKeyFODCEEYQOVWUJT-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

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

N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline (PubChem CID 153315131) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
PubChem CID153315131
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc1
InChIInChI=1S/C54H36N2O/c1-2-13-37(14-3-1)39-15-10-16-40(33-39)41-17-11-18-44(34-41)55(43-30-27-38(28-31-43)42-29-32-50-49-23-6-9-26-53(49)57-54(50)35-42)45-19-12-20-46(36-45)56-51-24-7-4-21-47(51)48-22-5-8-25-52(48)56/h1-36H
InChIKeyFODCEEYQOVWUJT-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-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 153314608
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 153314610
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
CID 153315214
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline (CID 153315131) is N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline?
The InChIKey is FODCEEYQOVWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-2-13-37(14-3-1)39-15-10-16-40(33-39)41-17-11-18-44(34-41)55(43-30-27-38(28-31-43)42-29-32-50-49-23-6-9-26-53(49)57-54(50)35-42)45-19-12-20-46(36-45)56-51-24-7-4-21-47(51)48-22-5-8-25-52(48)56/h1-36H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline?
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline 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 N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 153315131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).