6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole

C62H36N10S — CID 90251060

IUPAC6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccc3c(c2)c2cccnc2n3-c2ccc3scc(-n4c5ccc(-n6c7ccc(-c8ccccn8)cc7c7cccnc76)cc5c5cccnc54)c3c2)nc1
InChIInChI=1S/C62H36N10S/c1-3-25-63-51(13-1)37-15-20-53-46(31-37)42-9-5-27-65-59(42)69(53)39-17-22-55-48(33-39)44-11-7-29-67-61(44)71(55)41-19-24-58-50(35-41)57(36-73-58)72-56-23-18-40(34-49(56)45-12-8-30-68-62(45)72)70-54-21-16-38(52-14-2-4-26-64-52)32-47(54)43-10-6-28-66-60(43)70/h1-36H
InChIKeyOQCFWNJGGBEHOG-UHFFFAOYSA-N
MW953.11 g/mol
LogP14.99
Rot. Bonds6

About 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole

6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole (PubChem CID 90251060) has the molecular formula C62H36N10S and a molecular weight of 953.11 g/mol. Its IUPAC name is 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole
PubChem CID90251060
Molecular FormulaC62H36N10S
Molecular Weight953.11 g/mol
Exact Mass952.28
IUPAC Name6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccc3c(c2)c2cccnc2n3-c2ccc3scc(-n4c5ccc(-n6c7ccc(-c8ccccn8)cc7c7cccnc76)cc5c5cccnc54)c3c2)nc1
InChIInChI=1S/C62H36N10S/c1-3-25-63-51(13-1)37-15-20-53-46(31-37)42-9-5-27-65-59(42)69(53)39-17-22-55-48(33-39)44-11-7-29-67-61(44)71(55)41-19-24-58-50(35-41)57(36-73-58)72-56-23-18-40(34-49(56)45-12-8-30-68-62(45)72)70-54-21-16-38(52-14-2-4-26-64-52)32-47(54)43-10-6-28-66-60(43)70/h1-36H
InChIKeyOQCFWNJGGBEHOG-UHFFFAOYSA-N
XLogP14.99
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.11
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole?
The IUPAC name of 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole (CID 90251060) is 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole?
The canonical SMILES for 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole is c1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccc3c(c2)c2cccnc2n3-c2ccc3scc(-n4c5ccc(-n6c7ccc(-c8ccccn8)cc7c7cccnc76)cc5c5cccnc54)c3c2)nc1.
What is the InChIKey of 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole?
The InChIKey is OQCFWNJGGBEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N10S/c1-3-25-63-51(13-1)37-15-20-53-46(31-37)42-9-5-27-65-59(42)69(53)39-17-22-55-48(33-39)44-11-7-29-67-61(44)71(55)41-19-24-58-50(35-41)57(36-73-58)72-56-23-18-40(34-49(56)45-12-8-30-68-62(45)72)70-54-21-16-38(52-14-2-4-26-64-52)32-47(54)43-10-6-28-66-60(43)70/h1-36H.
What are the key properties of 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole?
6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole has a molecular weight of 953.11 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 90251060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).