4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline

C54H36N2O — CID 135225140

IUPAC4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-24-30-43(31-25-39)55(44-32-26-40(27-33-44)38-16-6-2-7-17-38)45-34-28-41(29-35-45)48-36-49-46-20-10-12-22-50(46)56(42-18-8-3-9-19-42)53(49)54-52(48)47-21-11-13-23-51(47)57-54/h1-36H
InChIKeyDGTHWWBJUSFNAM-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 135225140) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID135225140
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-24-30-43(31-25-39)55(44-32-26-40(27-33-44)38-16-6-2-7-17-38)45-34-28-41(29-35-45)48-36-49-46-20-10-12-22-50(46)56(42-18-8-3-9-19-42)53(49)54-52(48)47-21-11-13-23-51(47)57-54/h1-36H
InChIKeyDGTHWWBJUSFNAM-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-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
CID 134275326
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
CID 172524299
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122578447
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline
CID 158408107
3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
CID 134275324
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 135225140) is 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is DGTHWWBJUSFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-24-30-43(31-25-39)55(44-32-26-40(27-33-44)38-16-6-2-7-17-38)45-34-28-41(29-35-45)48-36-49-46-20-10-12-22-50(46)56(42-18-8-3-9-19-42)53(49)54-52(48)47-21-11-13-23-51(47)57-54/h1-36H.
What are the key properties of 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-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 4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 135225140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).