3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline

C42H28N2O — CID 118505905

IUPAC3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c3)c2)cc1
InChIInChI=1S/C42H28N2O/c1-3-14-31(15-4-1)43(32-16-5-2-6-17-32)33-18-11-13-29(27-33)30-25-26-35-34-19-7-9-21-37(34)44(39(35)28-30)38-22-12-24-41-42(38)36-20-8-10-23-40(36)45-41/h1-28H
InChIKeyPLMLMTJOWRZWKH-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.82
Rot. Bonds5

About 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline

3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline (PubChem CID 118505905) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
PubChem CID118505905
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c3)c2)cc1
InChIInChI=1S/C42H28N2O/c1-3-14-31(15-4-1)43(32-16-5-2-6-17-32)33-18-11-13-29(27-33)30-25-26-35-34-19-7-9-21-37(34)44(39(35)28-30)38-22-12-24-41-42(38)36-20-8-10-23-40(36)45-41/h1-28H
InChIKeyPLMLMTJOWRZWKH-UHFFFAOYSA-N
XLogP11.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085104
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765253
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
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
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline?
The IUPAC name of 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline (CID 118505905) is 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c3)c2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline?
The InChIKey is PLMLMTJOWRZWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-3-14-31(15-4-1)43(32-16-5-2-6-17-32)33-18-11-13-29(27-33)30-25-26-35-34-19-7-9-21-37(34)44(39(35)28-30)38-22-12-24-41-42(38)36-20-8-10-23-40(36)45-41/h1-28H.
What are the key properties of 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline?
3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline has a molecular weight of 576.70 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 118505905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).