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

C51H31N5S — CID 146632237

IUPAC1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5c(c4)c4c6ccccc6n(-c6nccc7c6sc6ccccc67)c4n5-c4ccccc4)c32)cc1
InChIInChI=1S/C51H31N5S/c1-3-15-32(16-4-1)53-41-23-11-7-20-37(41)46-38-21-8-12-24-42(38)55(50(46)53)34-27-28-44-40(31-34)47-39-22-9-13-25-43(39)56(51(47)54(44)33-17-5-2-6-18-33)49-48-36(29-30-52-49)35-19-10-14-26-45(35)57-48/h1-31H
InChIKeyATZWTJVEJNNRLN-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.53
Rot. Bonds4

About 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

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 (PubChem CID 146632237) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID146632237
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5c(c4)c4c6ccccc6n(-c6nccc7c6sc6ccccc67)c4n5-c4ccccc4)c32)cc1
InChIInChI=1S/C51H31N5S/c1-3-15-32(16-4-1)53-41-23-11-7-20-37(41)46-38-21-8-12-24-42(38)55(50(46)53)34-27-28-44-40(31-34)47-39-22-9-13-25-43(39)56(51(47)54(44)33-17-5-2-6-18-33)49-48-36(29-30-52-49)35-19-10-14-26-45(35)57-48/h1-31H
InChIKeyATZWTJVEJNNRLN-UHFFFAOYSA-N
XLogP13.53
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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

3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301
7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640758
6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
CID 146631702
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
7-carbazol-9-yl-20-phenyl-9-thia-6,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640766
[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane
CID 155603041
1-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413726
1-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479590
1-(9-dibenzofuran-3-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-[1]benzothiolo[2,3-c]pyridine
CID 122599819
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-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503172
1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 163693581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5c(c4)c4c6ccccc6n(-c6nccc7c6sc6ccccc67)c4n5-c4ccccc4)c32)cc1.
What is the InChIKey of 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?
The InChIKey is ATZWTJVEJNNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-3-15-32(16-4-1)53-41-23-11-7-20-37(41)46-38-21-8-12-24-42(38)55(50(46)53)34-27-28-44-40(31-34)47-39-22-9-13-25-43(39)56(51(47)54(44)33-17-5-2-6-18-33)49-48-36(29-30-52-49)35-19-10-14-26-45(35)57-48/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 745.91 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146632237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).