9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

C33H26N4 — CID 58663577

IUPAC9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5c(c6cccnc64)CCCC5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H26N4/c1-3-11-23(12-4-1)29-22-30(36-32(35-29)24-13-5-2-6-14-24)25-15-9-16-26(21-25)37-31-19-8-7-17-27(31)28-18-10-20-34-33(28)37/h1-6,9-16,18,20-22H,7-8,17,19H2
InChIKeyWQBNEBVYAYBGTQ-UHFFFAOYSA-N
MW478.60 g/mol
LogP7.70
Rot. Bonds4

About 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (PubChem CID 58663577) has the molecular formula C33H26N4 and a molecular weight of 478.60 g/mol. Its IUPAC name is 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
PubChem CID58663577
Molecular FormulaC33H26N4
Molecular Weight478.60 g/mol
Exact Mass478.22
IUPAC Name9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5c(c6cccnc64)CCCC5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H26N4/c1-3-11-23(12-4-1)29-22-30(36-32(35-29)24-13-5-2-6-14-24)25-15-9-16-26(21-25)37-31-19-8-7-17-27(31)28-18-10-20-34-33(28)37/h1-6,9-16,18,20-22H,7-8,17,19H2
InChIKeyWQBNEBVYAYBGTQ-UHFFFAOYSA-N
XLogP7.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole with MolForge

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Related Compounds

Miransertib
CID 53262401
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
Cgp-62464
CID 354471
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208
N-phenyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328391
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The IUPAC name of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (CID 58663577) is 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5c(c6cccnc64)CCCC5)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The InChIKey is WQBNEBVYAYBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4/c1-3-11-23(12-4-1)29-22-30(36-32(35-29)24-13-5-2-6-14-24)25-15-9-16-26(21-25)37-31-19-8-7-17-27(31)28-18-10-20-34-33(28)37/h1-6,9-16,18,20-22H,7-8,17,19H2.
What are the key properties of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole has a molecular weight of 478.60 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is sourced from PubChem (CID 58663577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).