3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine

C39H29N3 — CID 141348680

IUPAC3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine
SMILESC1=C(c2cccc(-c3cccnc3)c2)C=C(c2ccccc2)CC1(c1cccnc1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C39H29N3/c1-2-9-29(10-3-1)35-22-36(31-12-4-11-30(21-31)33-14-6-18-40-26-33)25-39(24-35,38-17-8-20-42-28-38)37-16-5-13-32(23-37)34-15-7-19-41-27-34/h1-23,25-28H,24H2
InChIKeyIBRYIERJIUTZHY-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.06
Rot. Bonds6

About 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine

3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine (PubChem CID 141348680) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine.

Molecular Properties

Compound Name3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine
PubChem CID141348680
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine
SMILESC1=C(c2cccc(-c3cccnc3)c2)C=C(c2ccccc2)CC1(c1cccnc1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C39H29N3/c1-2-9-29(10-3-1)35-22-36(31-12-4-11-30(21-31)33-14-6-18-40-26-33)25-39(24-35,38-17-8-20-42-28-38)37-16-5-13-32(23-37)34-15-7-19-41-27-34/h1-23,25-28H,24H2
InChIKeyIBRYIERJIUTZHY-UHFFFAOYSA-N
XLogP9.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
3-(3,5-diphenylphenyl)pyridine
CID 141411458
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
cyclopenta[c]azepine
CID 638010
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-azulen-6-ylpyridine
CID 86232079
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459

Frequently Asked Questions

What is the IUPAC name of 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine?
The IUPAC name of 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine (CID 141348680) is 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine.
What is the SMILES notation for 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine?
The canonical SMILES for 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine is C1=C(c2cccc(-c3cccnc3)c2)C=C(c2ccccc2)CC1(c1cccnc1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine?
The InChIKey is IBRYIERJIUTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-2-9-29(10-3-1)35-22-36(31-12-4-11-30(21-31)33-14-6-18-40-26-33)25-39(24-35,38-17-8-20-42-28-38)37-16-5-13-32(23-37)34-15-7-19-41-27-34/h1-23,25-28H,24H2.
What are the key properties of 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine?
3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine has a molecular weight of 539.68 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine is sourced from PubChem (CID 141348680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).