3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine

C38H30N4 — CID 155668477

IUPAC3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine
SMILESC1=CC(c2cccnc2)(c2ccccc2-c2cccc(-c3ccccc3C3(c4cccnc4)C=CC=NC3)c2)CN=C1
InChIInChI=1S/C38H30N4/c1-3-16-35(37(18-8-22-41-27-37)31-12-6-20-39-25-31)33(14-1)29-10-5-11-30(24-29)34-15-2-4-17-36(34)38(19-9-23-42-28-38)32-13-7-21-40-26-32/h1-26H,27-28H2
InChIKeyQSKOTJJXLLHWCA-UHFFFAOYSA-N
MW542.69 g/mol
LogP7.66
Rot. Bonds6

About 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine

3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine (PubChem CID 155668477) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine.

Molecular Properties

Compound Name3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine
PubChem CID155668477
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine
SMILESC1=CC(c2cccnc2)(c2ccccc2-c2cccc(-c3ccccc3C3(c4cccnc4)C=CC=NC3)c2)CN=C1
InChIInChI=1S/C38H30N4/c1-3-16-35(37(18-8-22-41-27-37)31-12-6-20-39-25-31)33(14-1)29-10-5-11-30(24-29)34-15-2-4-17-36(34)38(19-9-23-42-28-38)32-13-7-21-40-26-32/h1-26H,27-28H2
InChIKeyQSKOTJJXLLHWCA-UHFFFAOYSA-N
XLogP7.66
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide
CID 139972074
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
CID 142385241
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-9,9-dipyridin-3-ylfluoren-2-amine
CID 118245852
3-[5-phenyl-1,3-bis(3-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-yl]pyridine
CID 141348680
2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
CID 137452000
4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765199
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146631972
2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
4-[4-[3-(9,9-diphenylfluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779325
2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine?
The IUPAC name of 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine (CID 155668477) is 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine.
What is the SMILES notation for 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine?
The canonical SMILES for 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine is C1=CC(c2cccnc2)(c2ccccc2-c2cccc(-c3ccccc3C3(c4cccnc4)C=CC=NC3)c2)CN=C1.
What is the InChIKey of 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine?
The InChIKey is QSKOTJJXLLHWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-3-16-35(37(18-8-22-41-27-37)31-12-6-20-39-25-31)33(14-1)29-10-5-11-30(24-29)34-15-2-4-17-36(34)38(19-9-23-42-28-38)32-13-7-21-40-26-32/h1-26H,27-28H2.
What are the key properties of 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine?
3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine has a molecular weight of 542.69 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine is sourced from PubChem (CID 155668477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).