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

C40H24N6S — CID 90251055

IUPAC8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
SMILESc1cncc(-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccncc5c5cc(-c6cccnc6)ccc54)c3c2)c1
InChIInChI=1S/C40H24N6S/c1-3-27(20-41-13-1)25-5-8-35-30(17-25)33-22-43-15-11-37(33)45(35)29-7-10-40-32(19-29)39(24-47-40)46-36-9-6-26(28-4-2-14-42-21-28)18-31(36)34-23-44-16-12-38(34)46/h1-24H
InChIKeyLZVZFPWAXJFQQS-UHFFFAOYSA-N
MW620.74 g/mol
LogP10.01
Rot. Bonds4

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

8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole (PubChem CID 90251055) has the molecular formula C40H24N6S and a molecular weight of 620.74 g/mol. Its IUPAC name is 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
PubChem CID90251055
Molecular FormulaC40H24N6S
Molecular Weight620.74 g/mol
Exact Mass620.18
IUPAC Name8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
SMILESc1cncc(-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccncc5c5cc(-c6cccnc6)ccc54)c3c2)c1
InChIInChI=1S/C40H24N6S/c1-3-27(20-41-13-1)25-5-8-35-30(17-25)33-22-43-15-11-37(33)45(35)29-7-10-40-32(19-29)39(24-47-40)46-36-9-6-26(28-4-2-14-42-21-28)18-31(36)34-23-44-16-12-38(34)46/h1-24H
InChIKeyLZVZFPWAXJFQQS-UHFFFAOYSA-N
XLogP10.01
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.74
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole with MolForge

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Related Compounds

8-pyrido[4,3-b]indol-5-yl-5-[3-(8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251068
8-dibenzofuran-2-yl-5-[3-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251052
9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole
CID 58099806
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
9-dibenzothiophen-2-yl-2-phenyl-6-pyridin-3-ylcarbazole
CID 163526919
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
The IUPAC name of 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole (CID 90251055) is 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
The canonical SMILES for 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole is c1cncc(-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccncc5c5cc(-c6cccnc6)ccc54)c3c2)c1.
What is the InChIKey of 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
The InChIKey is LZVZFPWAXJFQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6S/c1-3-27(20-41-13-1)25-5-8-35-30(17-25)33-22-43-15-11-37(33)45(35)29-7-10-40-32(19-29)39(24-47-40)46-36-9-6-26(28-4-2-14-42-21-28)18-31(36)34-23-44-16-12-38(34)46/h1-24H.
What are the key properties of 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole has a molecular weight of 620.74 g/mol, XLogP of 10.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 90251055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).