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

C34H20N4S — CID 132568147

IUPAC9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C34H20N4S/c1-3-11-29-23(7-1)25-9-5-17-35-33(25)37(29)21-13-15-31-27(19-21)28-20-22(14-16-32(28)39-31)38-30-12-4-2-8-24(30)26-10-6-18-36-34(26)38/h1-20H
InChIKeyWTDGFNLUQMZFIV-UHFFFAOYSA-N
MW516.63 g/mol
LogP9.04
Rot. Bonds2

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

9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole (PubChem CID 132568147) has the molecular formula C34H20N4S and a molecular weight of 516.63 g/mol. Its IUPAC name is 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
PubChem CID132568147
Molecular FormulaC34H20N4S
Molecular Weight516.63 g/mol
Exact Mass516.14
IUPAC Name9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C34H20N4S/c1-3-11-29-23(7-1)25-9-5-17-35-33(25)37(29)21-13-15-31-27(19-21)28-20-22(14-16-32(28)39-31)38-30-12-4-2-8-24(30)26-10-6-18-36-34(26)38/h1-20H
InChIKeyWTDGFNLUQMZFIV-UHFFFAOYSA-N
XLogP9.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole with MolForge

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Related Compounds

6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
CID 146631702
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
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-(8-pyren-2-yldibenzothiophen-3-yl)pyrido[2,3-b]indole
CID 156577772
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 156578051
9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole
CID 163529706
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
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315

Frequently Asked Questions

What is the IUPAC name of 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole (CID 132568147) is 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1.
What is the InChIKey of 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
The InChIKey is WTDGFNLUQMZFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4S/c1-3-11-29-23(7-1)25-9-5-17-35-33(25)37(29)21-13-15-31-27(19-21)28-20-22(14-16-32(28)39-31)38-30-12-4-2-8-24(30)26-10-6-18-36-34(26)38/h1-20H.
What are the key properties of 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole has a molecular weight of 516.63 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 132568147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).