1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole

C38H24N2S2 — CID 59356860

IUPAC1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole
SMILESc1ccc(-n2cc(-c3cc4c(ccc5sc(-c6cn(-c7ccccc7)c7ccccc67)cc54)s3)c3ccccc32)cc1
InChIInChI=1S/C38H24N2S2/c1-3-11-25(12-4-1)39-23-31(27-15-7-9-17-33(27)39)37-21-29-30-22-38(42-36(30)20-19-35(29)41-37)32-24-40(26-13-5-2-6-14-26)34-18-10-8-16-28(32)34/h1-24H
InChIKeyQTVPPTTXOUJTFQ-UHFFFAOYSA-N
MW572.76 g/mol
LogP11.34
Rot. Bonds4

About 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole

1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole (PubChem CID 59356860) has the molecular formula C38H24N2S2 and a molecular weight of 572.76 g/mol. Its IUPAC name is 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole.

Molecular Properties

Compound Name1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole
PubChem CID59356860
Molecular FormulaC38H24N2S2
Molecular Weight572.76 g/mol
Exact Mass572.14
IUPAC Name1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole
SMILESc1ccc(-n2cc(-c3cc4c(ccc5sc(-c6cn(-c7ccccc7)c7ccccc67)cc54)s3)c3ccccc32)cc1
InChIInChI=1S/C38H24N2S2/c1-3-11-25(12-4-1)39-23-31(27-15-7-9-17-33(27)39)37-21-29-30-22-38(42-36(30)20-19-35(29)41-37)32-24-40(26-13-5-2-6-14-26)34-18-10-8-16-28(32)34/h1-24H
InChIKeyQTVPPTTXOUJTFQ-UHFFFAOYSA-N
XLogP11.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole
CID 126620581
3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole
CID 140713295
9-[2-[3-(2-carbazol-9-ylphenyl)-1-phenylindol-5-yl]phenyl]carbazole
CID 58121778
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
CID 154596791
1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole
CID 59307614
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
1-phenyl-3-(trifluoromethylsulfonyl)indole
CID 71715571
dibenzothiophene;9-phenylcarbazole
CID 142415981
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176615448
18-phenyl-10-thia-14,18-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 144661701

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole?
The IUPAC name of 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole (CID 59356860) is 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole.
What is the SMILES notation for 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole?
The canonical SMILES for 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole is c1ccc(-n2cc(-c3cc4c(ccc5sc(-c6cn(-c7ccccc7)c7ccccc67)cc54)s3)c3ccccc32)cc1.
What is the InChIKey of 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole?
The InChIKey is QTVPPTTXOUJTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S2/c1-3-11-25(12-4-1)39-23-31(27-15-7-9-17-33(27)39)37-21-29-30-22-38(42-36(30)20-19-35(29)41-37)32-24-40(26-13-5-2-6-14-26)34-18-10-8-16-28(32)34/h1-24H.
What are the key properties of 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole?
1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole has a molecular weight of 572.76 g/mol, XLogP of 11.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole is sourced from PubChem (CID 59356860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).