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

C48H30N2OS — CID 170368945

IUPAC4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c5c(cc43)oc3ccccc35)cc2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)34-24-26-35(27-25-34)50-40-20-10-7-18-37(40)47-41(50)30-43-48(38-19-8-11-21-42(38)51-43)46(47)31-23-28-45-39(29-31)36-17-9-12-22-44(36)52-45/h1-30H
InChIKeyUQIUDVRQRJRGSO-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

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

4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline (PubChem CID 170368945) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
PubChem CID170368945
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC Name4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c5c(cc43)oc3ccccc35)cc2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)34-24-26-35(27-25-34)50-40-20-10-7-18-37(40)47-41(50)30-43-48(38-19-8-11-21-42(38)51-43)46(47)31-23-28-45-39(29-31)36-17-9-12-22-44(36)52-45/h1-30H
InChIKeyUQIUDVRQRJRGSO-UHFFFAOYSA-N
XLogP14.19
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 514.19
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-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 170369238
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
CID 170369049
N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 149148527
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118462722
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069

Frequently Asked Questions

What is the IUPAC name of 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline (CID 170368945) is 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c5c(cc43)oc3ccccc35)cc2)cc1.
What is the InChIKey of 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline?
The InChIKey is UQIUDVRQRJRGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)34-24-26-35(27-25-34)50-40-20-10-7-18-37(40)47-41(50)30-43-48(38-19-8-11-21-42(38)51-43)46(47)31-23-28-45-39(29-31)36-17-9-12-22-44(36)52-45/h1-30H.
What are the key properties of 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline?
4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline has a molecular weight of 682.85 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline is sourced from PubChem (CID 170368945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).