6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole

C62H36N10S — CID 90251078

IUPAC6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccncc5c5cc(-n6c7ccc(-c8ccccn8)cc7c7cccnc76)ccc54)c3c2)nc1
InChIInChI=1S/C62H36N10S/c1-3-23-65-51(9-1)37-11-16-54-44(29-37)42-7-5-25-67-61(42)70(54)40-13-18-53-46(31-40)49-34-63-27-21-57(49)69(53)39-15-20-60-48(33-39)59(36-73-60)72-56-19-14-41(32-47(56)50-35-64-28-22-58(50)72)71-55-17-12-38(52-10-2-4-24-66-52)30-45(55)43-8-6-26-68-62(43)71/h1-36H
InChIKeyLZJUKINAKGLJHI-UHFFFAOYSA-N
MW953.11 g/mol
LogP14.99
Rot. Bonds6

About 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole

6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole (PubChem CID 90251078) has the molecular formula C62H36N10S and a molecular weight of 953.11 g/mol. Its IUPAC name is 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole
PubChem CID90251078
Molecular FormulaC62H36N10S
Molecular Weight953.11 g/mol
Exact Mass952.28
IUPAC Name6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccncc5c5cc(-n6c7ccc(-c8ccccn8)cc7c7cccnc76)ccc54)c3c2)nc1
InChIInChI=1S/C62H36N10S/c1-3-23-65-51(9-1)37-11-16-54-44(29-37)42-7-5-25-67-61(42)70(54)40-13-18-53-46(31-40)49-34-63-27-21-57(49)69(53)39-15-20-60-48(33-39)59(36-73-60)72-56-19-14-41(32-47(56)50-35-64-28-22-58(50)72)71-55-17-12-38(52-10-2-4-24-66-52)30-45(55)43-8-6-26-68-62(43)71/h1-36H
InChIKeyLZJUKINAKGLJHI-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-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-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-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole?
The IUPAC name of 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole (CID 90251078) is 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole?
The canonical SMILES for 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole is c1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccncc5c5cc(-n6c7ccc(-c8ccccn8)cc7c7cccnc76)ccc54)c3c2)nc1.
What is the InChIKey of 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole?
The InChIKey is LZJUKINAKGLJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N10S/c1-3-23-65-51(9-1)37-11-16-54-44(29-37)42-7-5-25-67-61(42)70(54)40-13-18-53-46(31-40)49-34-63-27-21-57(49)69(53)39-15-20-60-48(33-39)59(36-73-60)72-56-19-14-41(32-47(56)50-35-64-28-22-58(50)72)71-55-17-12-38(52-10-2-4-24-66-52)30-45(55)43-8-6-26-68-62(43)71/h1-36H.
What are the key properties of 6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole?
6-pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-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-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 90251078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).