4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline

C60H38N2O2 — CID 170369758

IUPAC4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2c3c(cc4c2c2cccc(-c5cccc6c5oc5ccccc56)c2n4-c2ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2)oc2ccccc23)cc1
InChIInChI=1S/C60H38N2O2/c1-4-16-41(17-5-1)56-57-51-27-14-24-47(49-26-15-25-48-46-22-10-12-28-53(46)64-60(48)49)59(51)62(52(57)38-55-58(56)50-23-11-13-29-54(50)63-55)45-36-32-40(33-37-45)39-30-34-44(35-31-39)61(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-38H
InChIKeyFMERTKRJCUCRTK-UHFFFAOYSA-N
MW818.98 g/mol
LogP17.05
Rot. Bonds7

About 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline

4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline (PubChem CID 170369758) has the molecular formula C60H38N2O2 and a molecular weight of 818.98 g/mol. Its IUPAC name is 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline
PubChem CID170369758
Molecular FormulaC60H38N2O2
Molecular Weight818.98 g/mol
Exact Mass818.29
IUPAC Name4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2c3c(cc4c2c2cccc(-c5cccc6c5oc5ccccc56)c2n4-c2ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2)oc2ccccc23)cc1
InChIInChI=1S/C60H38N2O2/c1-4-16-41(17-5-1)56-57-51-27-14-24-47(49-26-15-25-48-46-22-10-12-28-53(46)64-60(48)49)59(51)62(52(57)38-55-58(56)50-23-11-13-29-54(50)63-55)45-36-32-40(33-37-45)39-30-34-44(35-31-39)61(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-38H
InChIKeyFMERTKRJCUCRTK-UHFFFAOYSA-N
XLogP17.05
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 170370037
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170376840
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 153004829
12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377332
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline (CID 170369758) is 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline is c1ccc(-c2c3c(cc4c2c2cccc(-c5cccc6c5oc5ccccc56)c2n4-c2ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2)oc2ccccc23)cc1.
What is the InChIKey of 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is FMERTKRJCUCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2/c1-4-16-41(17-5-1)56-57-51-27-14-24-47(49-26-15-25-48-46-22-10-12-28-53(46)64-60(48)49)59(51)62(52(57)38-55-58(56)50-23-11-13-29-54(50)63-55)45-36-32-40(33-37-45)39-30-34-44(35-31-39)61(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-38H.
What are the key properties of 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline?
4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 818.98 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 170369758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).