1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole

C38H34N4 — CID 59246591

IUPAC1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole
SMILESCCCc1cc(-n2cc(-c3ccccn3)c3ccccc32)c(CCC)cc1-n1cc(-c2ccccn2)c2ccccc21
InChIInChI=1S/C38H34N4/c1-3-13-27-23-38(42-26-32(34-18-10-12-22-40-34)30-16-6-8-20-36(30)42)28(14-4-2)24-37(27)41-25-31(33-17-9-11-21-39-33)29-15-5-7-19-35(29)41/h5-12,15-26H,3-4,13-14H2,1-2H3
InChIKeyBFMXKQIKFPHTNL-UHFFFAOYSA-N
MW546.72 g/mol
LogP9.60
Rot. Bonds8

About 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole

1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole (PubChem CID 59246591) has the molecular formula C38H34N4 and a molecular weight of 546.72 g/mol. Its IUPAC name is 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole.

Molecular Properties

Compound Name1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole
PubChem CID59246591
Molecular FormulaC38H34N4
Molecular Weight546.72 g/mol
Exact Mass546.28
IUPAC Name1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole
SMILESCCCc1cc(-n2cc(-c3ccccn3)c3ccccc32)c(CCC)cc1-n1cc(-c2ccccn2)c2ccccc21
InChIInChI=1S/C38H34N4/c1-3-13-27-23-38(42-26-32(34-18-10-12-22-40-34)30-16-6-8-20-36(30)42)28(14-4-2)24-37(27)41-25-31(33-17-9-11-21-39-33)29-15-5-7-19-35(29)41/h5-12,15-26H,3-4,13-14H2,1-2H3
InChIKeyBFMXKQIKFPHTNL-UHFFFAOYSA-N
XLogP9.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,4-trimethoxy-5-propylphenyl)pyridine
CID 173295109
11-methyl-5-pyridin-2-ylbenzo[a]carbazole
CID 58410525
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
2-(2-butylphenyl)pyridine
CID 11977286
9-methyl-3-pyridin-2-ylpyrido[3,4-b]indole
CID 70800051
1-hydroxy-3-pyridin-2-ylquinolin-4-one
CID 54475265
1-phenyl-3-pyridin-2-ylpyrrolo[2,3-c]pyridine
CID 144659291
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
2-(3-butyl-2-methylphenyl)pyridine
CID 161168281
5-propyl-3-pyridin-2-ylthiophen-2-amine
CID 60988143
2-(2-octylphenyl)pyridine
CID 15643012
propane;2-pyridin-2-ylpyridine
CID 158168510

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole?
The IUPAC name of 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole (CID 59246591) is 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole.
What is the SMILES notation for 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole?
The canonical SMILES for 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole is CCCc1cc(-n2cc(-c3ccccn3)c3ccccc32)c(CCC)cc1-n1cc(-c2ccccn2)c2ccccc21.
What is the InChIKey of 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole?
The InChIKey is BFMXKQIKFPHTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4/c1-3-13-27-23-38(42-26-32(34-18-10-12-22-40-34)30-16-6-8-20-36(30)42)28(14-4-2)24-37(27)41-25-31(33-17-9-11-21-39-33)29-15-5-7-19-35(29)41/h5-12,15-26H,3-4,13-14H2,1-2H3.
What are the key properties of 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole?
1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole has a molecular weight of 546.72 g/mol, XLogP of 9.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dipropyl-4-(3-pyridin-2-ylindol-1-yl)phenyl]-3-pyridin-2-ylindole is sourced from PubChem (CID 59246591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).