2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

C140H88N20S2 — CID 158228784

IUPAC2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1cc(-c2ccc(-c3cccc4cccnc34)cc2)nc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)c1.c1cc(-c2ccc(-c3cccc4cccnc34)cc2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2ccc(-c3nc4ccccc4s3)cc2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.c1cc(-c2ccc(-c3nc4ccccc4s3)cc2)nc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)c1
InChIInChI=1S/2C36H23N5.2C34H21N5S/c1-2-15-32-28(10-1)36-33(16-7-23-38-36)41(32)34-17-5-14-31(40-34)30-13-4-12-29(39-30)25-20-18-24(19-21-25)27-11-3-8-26-9-6-22-37-35(26)27;1-2-14-33-28(9-1)29-23-37-22-20-34(29)41(33)35-15-5-13-32(40-35)31-12-4-11-30(39-31)25-18-16-24(17-19-25)27-10-3-7-26-8-6-21-38-36(26)27;1-3-12-30-24(7-1)25-21-35-20-19-31(25)39(30)33-14-6-11-28(37-33)27-10-5-9-26(36-27)22-15-17-23(18-16-22)34-38-29-8-2-4-13-32(29)40-34;1-3-12-30-24(7-1)25-19-20-35-21-31(25)39(30)33-14-6-11-28(37-33)27-10-5-9-26(36-27)22-15-17-23(18-16-22)34-38-29-8-2-4-13-32(29)40-34/h2*1-23H;2*1-21H
InChIKeyGECXRMZMDNQWFC-UHFFFAOYSA-N
MW2114.52 g/mol
LogP34.19
Rot. Bonds16

About 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 158228784) has the molecular formula C140H88N20S2 and a molecular weight of 2114.52 g/mol. Its IUPAC name is 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
PubChem CID158228784
Molecular FormulaC140H88N20S2
Molecular Weight2114.52 g/mol
Exact Mass2112.69
IUPAC Name2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1cc(-c2ccc(-c3cccc4cccnc34)cc2)nc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)c1.c1cc(-c2ccc(-c3cccc4cccnc34)cc2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2ccc(-c3nc4ccccc4s3)cc2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.c1cc(-c2ccc(-c3nc4ccccc4s3)cc2)nc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)c1
InChIInChI=1S/2C36H23N5.2C34H21N5S/c1-2-15-32-28(10-1)36-33(16-7-23-38-36)41(32)34-17-5-14-31(40-34)30-13-4-12-29(39-30)25-20-18-24(19-21-25)27-11-3-8-26-9-6-22-37-35(26)27;1-2-14-33-28(9-1)29-23-37-22-20-34(29)41(33)35-15-5-13-32(40-35)31-12-4-11-30(39-31)25-18-16-24(17-19-25)27-10-3-7-26-8-6-21-38-36(26)27;1-3-12-30-24(7-1)25-21-35-20-19-31(25)39(30)33-14-6-11-28(37-33)27-10-5-9-26(36-27)22-15-17-23(18-16-22)34-38-29-8-2-4-13-32(29)40-34;1-3-12-30-24(7-1)25-19-20-35-21-31(25)39(30)33-14-6-11-28(37-33)27-10-5-9-26(36-27)22-15-17-23(18-16-22)34-38-29-8-2-4-13-32(29)40-34/h2*1-23H;2*1-21H
InChIKeyGECXRMZMDNQWFC-UHFFFAOYSA-N
XLogP34.19
TPSA225.96 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002114.52
LogP ≤ 534.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (CID 158228784) is 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is c1cc(-c2ccc(-c3cccc4cccnc34)cc2)nc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)c1.c1cc(-c2ccc(-c3cccc4cccnc34)cc2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2ccc(-c3nc4ccccc4s3)cc2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.c1cc(-c2ccc(-c3nc4ccccc4s3)cc2)nc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)c1.
What is the InChIKey of 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is GECXRMZMDNQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H23N5.2C34H21N5S/c1-2-15-32-28(10-1)36-33(16-7-23-38-36)41(32)34-17-5-14-31(40-34)30-13-4-12-29(39-30)25-20-18-24(19-21-25)27-11-3-8-26-9-6-22-37-35(26)27;1-2-14-33-28(9-1)29-23-37-22-20-34(29)41(33)35-15-5-13-32(40-35)31-12-4-11-30(39-31)25-18-16-24(17-19-25)27-10-3-7-26-8-6-21-38-36(26)27;1-3-12-30-24(7-1)25-21-35-20-19-31(25)39(30)33-14-6-11-28(37-33)27-10-5-9-26(36-27)22-15-17-23(18-16-22)34-38-29-8-2-4-13-32(29)40-34;1-3-12-30-24(7-1)25-19-20-35-21-31(25)39(30)33-14-6-11-28(37-33)27-10-5-9-26(36-27)22-15-17-23(18-16-22)34-38-29-8-2-4-13-32(29)40-34/h2*1-23H;2*1-21H.
What are the key properties of 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 2114.52 g/mol, XLogP of 34.19, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-1,3-benzothiazole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[6-(4-quinolin-8-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 158228784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).