4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline

C48H32N2O — CID 170376628

IUPAC4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3c(cc4c2c2ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc2n4-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C48H32N2O/c1-5-15-34(16-6-1)46-47-40-30-27-35(33-25-28-39(29-26-33)49(36-17-7-2-8-18-36)37-19-9-3-10-20-37)31-42(40)50(38-21-11-4-12-22-38)43(47)32-45-48(46)41-23-13-14-24-44(41)51-45/h1-32H
InChIKeyJFRVYJLYZYQDDX-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.49
Rot. Bonds6

About 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline

4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline (PubChem CID 170376628) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
PubChem CID170376628
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3c(cc4c2c2ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc2n4-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C48H32N2O/c1-5-15-34(16-6-1)46-47-40-30-27-35(33-25-28-39(29-26-33)49(36-17-7-2-8-18-36)37-19-9-3-10-20-37)31-42(40)50(38-21-11-4-12-22-38)43(47)32-45-48(46)41-23-13-14-24-44(41)51-45/h1-32H
InChIKeyJFRVYJLYZYQDDX-UHFFFAOYSA-N
XLogP13.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 171402489
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 170370037
5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765253
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline
CID 170369758
7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376987

Frequently Asked Questions

What is the IUPAC name of 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline (CID 170376628) is 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline is c1ccc(-c2c3c(cc4c2c2ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc2n4-c2ccccc2)oc2ccccc23)cc1.
What is the InChIKey of 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline?
The InChIKey is JFRVYJLYZYQDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-5-15-34(16-6-1)46-47-40-30-27-35(33-25-28-39(29-26-33)49(36-17-7-2-8-18-36)37-19-9-3-10-20-37)31-42(40)50(38-21-11-4-12-22-38)43(47)32-45-48(46)41-23-13-14-24-44(41)51-45/h1-32H.
What are the key properties of 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline?
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline has a molecular weight of 652.80 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 170376628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).