N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine

C48H33N3S — CID 90050804

IUPACN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5sc6ccccc6c5cc43)cc2)cc1
InChIInChI=1S/C48H33N3S/c1-5-15-34(16-6-1)49(35-17-7-2-8-18-35)38-25-27-39(28-26-38)51-45-31-40(50(36-19-9-3-10-20-36)37-21-11-4-12-22-37)29-30-41(45)43-33-48-44(32-46(43)51)42-23-13-14-24-47(42)52-48/h1-33H
InChIKeyFGZLHRMTCAUYQV-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.09
Rot. Bonds7

About N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine (PubChem CID 90050804) has the molecular formula C48H33N3S and a molecular weight of 683.88 g/mol. Its IUPAC name is N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine.

Molecular Properties

Compound NameN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
PubChem CID90050804
Molecular FormulaC48H33N3S
Molecular Weight683.88 g/mol
Exact Mass683.24
IUPAC NameN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5sc6ccccc6c5cc43)cc2)cc1
InChIInChI=1S/C48H33N3S/c1-5-15-34(16-6-1)49(35-17-7-2-8-18-35)38-25-27-39(28-26-38)51-45-31-40(50(36-19-9-3-10-20-36)37-21-11-4-12-22-37)29-30-41(45)43-33-48-44(32-46(43)51)42-23-13-14-24-47(42)52-48/h1-33H
InChIKeyFGZLHRMTCAUYQV-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-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
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]-[1]benzothiolo[3,2-b]carbazol-8-amine
CID 90050805
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 118333305
10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125614
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573298
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine
CID 58501326

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine?
The IUPAC name of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine (CID 90050804) is N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine.
What is the SMILES notation for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine?
The canonical SMILES for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine is c1ccc(N(c2ccccc2)c2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5sc6ccccc6c5cc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine?
The InChIKey is FGZLHRMTCAUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3S/c1-5-15-34(16-6-1)49(35-17-7-2-8-18-35)38-25-27-39(28-26-38)51-45-31-40(50(36-19-9-3-10-20-36)37-21-11-4-12-22-37)29-30-41(45)43-33-48-44(32-46(43)51)42-23-13-14-24-47(42)52-48/h1-33H.
What are the key properties of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine?
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-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-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine is sourced from PubChem (CID 90050804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).