2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine

C34H25N — CID 140595202

IUPAC2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine
SMILESC1=CCC(c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)=C1
InChIInChI=1S/C34H25N/c1-2-10-25(11-3-1)31-22-32(26-12-4-5-13-26)24-33(23-31)29-16-8-14-27(20-29)28-15-9-17-30(21-28)34-18-6-7-19-35-34/h1-12,14-24H,13H2
InChIKeyHENWCNLBKWDGIG-UHFFFAOYSA-N
MW447.58 g/mol
LogP9.09
Rot. Bonds5

About 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine

2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine (PubChem CID 140595202) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine
PubChem CID140595202
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine
SMILESC1=CCC(c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)=C1
InChIInChI=1S/C34H25N/c1-2-10-25(11-3-1)31-22-32(26-12-4-5-13-26)24-33(23-31)29-16-8-14-27(20-29)28-15-9-17-30(21-28)34-18-6-7-19-35-34/h1-12,14-24H,13H2
InChIKeyHENWCNLBKWDGIG-UHFFFAOYSA-N
XLogP9.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-cyclohexa-1,3-dien-1-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 166649509
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine
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3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine (CID 140595202) is 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine is C1=CCC(c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)=C1.
What is the InChIKey of 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine?
The InChIKey is HENWCNLBKWDGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c1-2-10-25(11-3-1)31-22-32(26-12-4-5-13-26)24-33(23-31)29-16-8-14-27(20-29)28-15-9-17-30(21-28)34-18-6-7-19-35-34/h1-12,14-24H,13H2.
What are the key properties of 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine?
2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine has a molecular weight of 447.58 g/mol, XLogP of 9.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 140595202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).