6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole

C43H26N4S — CID 146631702

IUPAC6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8cccnc87)cc6c5c4)c32)cc1
InChIInChI=1S/C43H26N4S/c1-2-11-27(12-3-1)46-37-18-8-5-14-32(37)41-33-15-6-9-19-38(33)47(43(41)46)29-21-23-40-35(26-29)34-25-28(20-22-39(34)48-40)45-36-17-7-4-13-30(36)31-16-10-24-44-42(31)45/h1-26H
InChIKeyWZRADXSABZIWCL-UHFFFAOYSA-N
MW630.78 g/mol
LogP11.59
Rot. Bonds3

About 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole

6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole (PubChem CID 146631702) has the molecular formula C43H26N4S and a molecular weight of 630.78 g/mol. Its IUPAC name is 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole.

Molecular Properties

Compound Name6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
PubChem CID146631702
Molecular FormulaC43H26N4S
Molecular Weight630.78 g/mol
Exact Mass630.19
IUPAC Name6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8cccnc87)cc6c5c4)c32)cc1
InChIInChI=1S/C43H26N4S/c1-2-11-27(12-3-1)46-37-18-8-5-14-32(37)41-33-15-6-9-19-38(33)47(43(41)46)29-21-23-40-35(26-29)34-25-28(20-22-39(34)48-40)45-36-17-7-4-13-30(36)31-16-10-24-44-42(31)45/h1-26H
InChIKeyWZRADXSABZIWCL-UHFFFAOYSA-N
XLogP11.59
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]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

9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
9-phenylpyrido[2,3-b]indole
CID 15939260
8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 118104800
16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
CID 146631472
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
2,6,9-triphenyl-5-[8-(2,6,9-triphenylindolo[2,3-b]indol-5-yl)dibenzothiophen-2-yl]indolo[2,3-b]indole
CID 152801477
9-(8-pyren-2-yldibenzothiophen-3-yl)pyrido[2,3-b]indole
CID 156577772
1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
CID 146632237
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
CID 90251064
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 156578051

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole?
The IUPAC name of 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole (CID 146631702) is 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole.
What is the SMILES notation for 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole?
The canonical SMILES for 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8cccnc87)cc6c5c4)c32)cc1.
What is the InChIKey of 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole?
The InChIKey is WZRADXSABZIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4S/c1-2-11-27(12-3-1)46-37-18-8-5-14-32(37)41-33-15-6-9-19-38(33)47(43(41)46)29-21-23-40-35(26-29)34-25-28(20-22-39(34)48-40)45-36-17-7-4-13-30(36)31-16-10-24-44-42(31)45/h1-26H.
What are the key properties of 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole?
6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole has a molecular weight of 630.78 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole is sourced from PubChem (CID 146631702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).