N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine

C48H33N3S — CID 90050805

IUPACN,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc5sc6ccccc6c5cc43)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)51-45-29-28-40(50(36-20-9-3-10-21-36)37-22-11-4-12-23-37)31-42(45)43-33-48-44(32-46(43)51)41-26-13-14-27-47(41)52-48/h1-33H
InChIKeyODMWHXKQMWEXDD-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.09
Rot. Bonds7

About N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine

N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine (PubChem CID 90050805) has the molecular formula C48H33N3S and a molecular weight of 683.88 g/mol. Its IUPAC name is N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine.

Molecular Properties

Compound NameN,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine
PubChem CID90050805
Molecular FormulaC48H33N3S
Molecular Weight683.88 g/mol
Exact Mass683.24
IUPAC NameN,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc5sc6ccccc6c5cc43)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)51-45-29-28-40(50(36-20-9-3-10-21-36)37-22-11-4-12-23-37)31-42(45)43-33-48-44(32-46(43)51)41-26-13-14-27-47(41)52-48/h1-33H
InChIKeyODMWHXKQMWEXDD-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-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-2-propyl-[1]benzothiolo[3,2-b]carbazol-8-amine
CID 90050788
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-dibenzothiophen-3-yl-N,22-diphenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 140918097
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-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine?
The IUPAC name of N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine (CID 90050805) is N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine.
What is the SMILES notation for N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine?
The canonical SMILES for N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine is c1ccc(N(c2ccccc2)c2cccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc5sc6ccccc6c5cc43)c2)cc1.
What is the InChIKey of N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine?
The InChIKey is ODMWHXKQMWEXDD-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)51-45-29-28-40(50(36-20-9-3-10-21-36)37-22-11-4-12-23-37)31-42(45)43-33-48-44(32-46(43)51)41-26-13-14-27-47(41)52-48/h1-33H.
What are the key properties of N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine?
N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-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-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine is sourced from PubChem (CID 90050805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).