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

C54H34N2OS — CID 170377101

IUPACN-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc(-c2ccc(-n3c4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)ccc4c4c(-c5ccccc5)c5c(cc43)oc3ccccc35)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-4-14-35(15-5-1)36-24-26-39(27-25-36)56-46-32-40(55(38-18-8-3-9-19-38)41-28-30-43-42-20-11-13-23-50(42)58-51(43)33-41)29-31-44(46)53-47(56)34-49-54(45-21-10-12-22-48(45)57-49)52(53)37-16-6-2-7-17-37/h1-34H
InChIKeySKSYGPQBGOFKQZ-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

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

N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine (PubChem CID 170377101) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
PubChem CID170377101
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc(-c2ccc(-n3c4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)ccc4c4c(-c5ccccc5)c5c(cc43)oc3ccccc35)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-4-14-35(15-5-1)36-24-26-39(27-25-36)56-46-32-40(55(38-18-8-3-9-19-38)41-28-30-43-42-20-11-13-23-50(42)58-51(43)33-41)29-31-44(46)53-47(56)34-49-54(45-21-10-12-22-48(45)57-49)52(53)37-16-6-2-7-17-37/h1-34H
InChIKeySKSYGPQBGOFKQZ-UHFFFAOYSA-N
XLogP15.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
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-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 170369238
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 147244332
N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
CID 170369049
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine (CID 170377101) is N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine is c1ccc(-c2ccc(-n3c4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)ccc4c4c(-c5ccccc5)c5c(cc43)oc3ccccc35)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine?
The InChIKey is SKSYGPQBGOFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-4-14-35(15-5-1)36-24-26-39(27-25-36)56-46-32-40(55(38-18-8-3-9-19-38)41-28-30-43-42-20-11-13-23-50(42)58-51(43)33-41)29-31-44(46)53-47(56)34-49-54(45-21-10-12-22-48(45)57-49)52(53)37-16-6-2-7-17-37/h1-34H.
What are the key properties of N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine?
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine has a molecular weight of 758.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine is sourced from PubChem (CID 170377101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).