N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine

C48H33N3S — CID 90050702

IUPACN,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5c(cc43)sc3ccccc35)c2)cc1
InChIInChI=1S/C48H33N3S/c1-5-16-34(17-6-1)49(35-18-7-2-8-19-35)38-24-15-25-39(30-38)51-45-31-40(50(36-20-9-3-10-21-36)37-22-11-4-12-23-37)28-29-41(45)43-32-44-42-26-13-14-27-47(42)52-48(44)33-46(43)51/h1-33H
InChIKeyQHCAQWHUJMXBLV-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.09
Rot. Bonds7

About N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine

N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine (PubChem CID 90050702) has the molecular formula C48H33N3S and a molecular weight of 683.88 g/mol. Its IUPAC name is N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine.

Molecular Properties

Compound NameN,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
PubChem CID90050702
Molecular FormulaC48H33N3S
Molecular Weight683.88 g/mol
Exact Mass683.24
IUPAC NameN,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5c(cc43)sc3ccccc35)c2)cc1
InChIInChI=1S/C48H33N3S/c1-5-16-34(17-6-1)49(35-18-7-2-8-19-35)38-24-15-25-39(30-38)51-45-31-40(50(36-20-9-3-10-21-36)37-22-11-4-12-23-37)28-29-41(45)43-32-44-42-26-13-14-27-47(42)52-48(44)33-46(43)51/h1-33H
InChIKeyQHCAQWHUJMXBLV-UHFFFAOYSA-N
XLogP14.09
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine
CID 90050805
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 158685551
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-dibenzothiophen-3-yldibenzothiophen-3-amine
CID 126683194
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine?
The IUPAC name of N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine (CID 90050702) is N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine.
What is the SMILES notation for N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine?
The canonical SMILES for N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine is c1ccc(N(c2ccccc2)c2cccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5c(cc43)sc3ccccc35)c2)cc1.
What is the InChIKey of N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine?
The InChIKey is QHCAQWHUJMXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3S/c1-5-16-34(17-6-1)49(35-18-7-2-8-19-35)38-24-15-25-39(30-38)51-45-31-40(50(36-20-9-3-10-21-36)37-22-11-4-12-23-37)28-29-41(45)43-32-44-42-26-13-14-27-47(42)52-48(44)33-46(43)51/h1-33H.
What are the key properties of N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine?
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine has a molecular weight of 683.88 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine is sourced from PubChem (CID 90050702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).