3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline

C54H36N2O — CID 121443717

IUPAC3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C54H36N2O/c1-4-16-41(17-5-1)55(42-18-6-2-7-19-42)44-22-14-15-39(33-44)45-30-27-37(34-50(45)40-29-32-49-48-24-11-13-26-53(48)57-54(49)36-40)38-28-31-47-46-23-10-12-25-51(46)56(52(47)35-38)43-20-8-3-9-21-43/h1-36H
InChIKeyKRBQZXGNBXPHKX-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline

3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (PubChem CID 121443717) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
PubChem CID121443717
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C54H36N2O/c1-4-16-41(17-5-1)55(42-18-6-2-7-19-42)44-22-14-15-39(33-44)45-30-27-37(34-50(45)40-29-32-49-48-24-11-13-26-53(48)57-54(49)36-40)38-28-31-47-46-23-10-12-25-51(46)56(52(47)35-38)43-20-8-3-9-21-43/h1-36H
InChIKeyKRBQZXGNBXPHKX-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,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481
N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443674
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 162157282
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
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599

Frequently Asked Questions

What is the IUPAC name of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (CID 121443717) is 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is KRBQZXGNBXPHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-16-41(17-5-1)55(42-18-6-2-7-19-42)44-22-14-15-39(33-44)45-30-27-37(34-50(45)40-29-32-49-48-24-11-13-26-53(48)57-54(49)36-40)38-28-31-47-46-23-10-12-25-51(46)56(52(47)35-38)43-20-8-3-9-21-43/h1-36H.
What are the key properties of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline 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 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 121443717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).