8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole

C101H65Br3N10 — CID 161296755

IUPAC8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C34H22BrN3.C33H21BrN4/c35-27-15-18-32-29(22-27)34-33(12-7-19-36-34)38(32)28-16-13-23(14-17-28)26-20-30(24-8-3-1-4-9-24)37-31(21-26)25-10-5-2-6-11-25;35-27-15-18-32-29(22-27)34-33(12-7-19-36-34)38(32)28-16-13-25(14-17-28)31-21-26(23-8-3-1-4-9-23)20-30(37-31)24-10-5-2-6-11-24;34-26-11-14-31-28(21-26)33-32(8-5-17-37-33)38(31)27-12-9-22(10-13-27)23-18-24(29-6-1-3-15-35-29)20-25(19-23)30-7-2-4-16-36-30/h2*1-22H;1-21H
InChIKeyVHBOWYRFQMLMTL-UHFFFAOYSA-N
MW1658.41 g/mol
LogP27.41
Rot. Bonds12

About 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole

8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole (PubChem CID 161296755) has the molecular formula C101H65Br3N10 and a molecular weight of 1658.41 g/mol. Its IUPAC name is 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole
PubChem CID161296755
Molecular FormulaC101H65Br3N10
Molecular Weight1658.41 g/mol
Exact Mass1654.29
IUPAC Name8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C34H22BrN3.C33H21BrN4/c35-27-15-18-32-29(22-27)34-33(12-7-19-36-34)38(32)28-16-13-23(14-17-28)26-20-30(24-8-3-1-4-9-24)37-31(21-26)25-10-5-2-6-11-25;35-27-15-18-32-29(22-27)34-33(12-7-19-36-34)38(32)28-16-13-25(14-17-28)31-21-26(23-8-3-1-4-9-23)20-30(37-31)24-10-5-2-6-11-24;34-26-11-14-31-28(21-26)33-32(8-5-17-37-33)38(31)27-12-9-22(10-13-27)23-18-24(29-6-1-3-15-35-29)20-25(19-23)30-7-2-4-16-36-30/h2*1-22H;1-21H
InChIKeyVHBOWYRFQMLMTL-UHFFFAOYSA-N
XLogP27.41
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001658.41
LogP ≤ 527.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

6-Bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539233
6-Bromo-9-[5-(6-bromo-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
CID 71575143
6-Bromo-9-[6-(6-bromo-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539376
1,6-Bis(8-bromo-beta-carboline-9-yl) hexane
CID 71575142
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]-5-bromoindol-3-yl]-phenylmethyl]-5-bromoindole
CID 44583477
3,8,13-Tribromo-5,10,15-trihexyl-10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole
CID 101771668
5-Bromo-1-pyridin-3-ylindole;1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]indole
CID 140033465
5-Bromo-1-pyridin-3-ylindole;1-pyridin-3-yl-7-[4-(trifluoromethyl)phenyl]indole
CID 140033470
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole
CID 143156805
8-[5-[3-Fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144612658
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole
CID 145578410
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(5-pyrido[4,3-b]indol-5-ylcyclohepta-1,2,4,6-tetraen-1-yl)propan-2-yl]phenyl]pyrido[4,3-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole
CID 145624622

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole (CID 161296755) is 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole is Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1.
What is the InChIKey of 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole?
The InChIKey is VHBOWYRFQMLMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H22BrN3.C33H21BrN4/c35-27-15-18-32-29(22-27)34-33(12-7-19-36-34)38(32)28-16-13-23(14-17-28)26-20-30(24-8-3-1-4-9-24)37-31(21-26)25-10-5-2-6-11-25;35-27-15-18-32-29(22-27)34-33(12-7-19-36-34)38(32)28-16-13-25(14-17-28)31-21-26(23-8-3-1-4-9-23)20-30(37-31)24-10-5-2-6-11-24;34-26-11-14-31-28(21-26)33-32(8-5-17-37-33)38(31)27-12-9-22(10-13-27)23-18-24(29-6-1-3-15-35-29)20-25(19-23)30-7-2-4-16-36-30/h2*1-22H;1-21H.
What are the key properties of 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole?
8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole has a molecular weight of 1658.41 g/mol, XLogP of 27.41, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;8-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 161296755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).