4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine

C51H37N3 — CID 145093833

IUPAC4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
SMILESC/C=C\c1cc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)cnc1C
InChIInChI=1S/C51H37N3/c1-3-10-43-31-44(33-52-34(43)2)35-19-25-40(26-20-35)49-32-50(41-27-21-38(22-28-41)47-17-8-13-36-11-4-6-15-45(36)47)54-51(53-49)42-29-23-39(24-30-42)48-18-9-14-37-12-5-7-16-46(37)48/h3-33H,1-2H3/b10-3-
InChIKeyUVQLBHZOYMGWCH-KMKOMSMNSA-N
MW691.88 g/mol
LogP13.52
Rot. Bonds7

About 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine

4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine (PubChem CID 145093833) has the molecular formula C51H37N3 and a molecular weight of 691.88 g/mol. Its IUPAC name is 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
PubChem CID145093833
Molecular FormulaC51H37N3
Molecular Weight691.88 g/mol
Exact Mass691.30
IUPAC Name4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
SMILESC/C=C\c1cc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)cnc1C
InChIInChI=1S/C51H37N3/c1-3-10-43-31-44(33-52-34(43)2)35-19-25-40(26-20-35)49-32-50(41-27-21-38(22-28-41)47-17-8-13-36-11-4-6-15-45(36)47)54-51(53-49)42-29-23-39(24-30-42)48-18-9-14-37-12-5-7-16-46(37)48/h3-33H,1-2H3/b10-3-
InChIKeyUVQLBHZOYMGWCH-KMKOMSMNSA-N
XLogP13.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.88
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline
CID 146382687
4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
CID 166057473
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 121402286
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-2-ylpyrimidine
CID 130261239
4-[4-[6-(3-naphthalen-1-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384409
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine (CID 145093833) is 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine is C/C=C\c1cc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)cnc1C.
What is the InChIKey of 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
The InChIKey is UVQLBHZOYMGWCH-KMKOMSMNSA-N. The full InChI is InChI=1S/C51H37N3/c1-3-10-43-31-44(33-52-34(43)2)35-19-25-40(26-20-35)49-32-50(41-27-21-38(22-28-41)47-17-8-13-36-11-4-6-15-45(36)47)54-51(53-49)42-29-23-39(24-30-42)48-18-9-14-37-12-5-7-16-46(37)48/h3-33H,1-2H3/b10-3-.
What are the key properties of 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine has a molecular weight of 691.88 g/mol, XLogP of 13.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]phenyl]-2,6-bis(4-naphthalen-1-ylphenyl)pyrimidine is sourced from PubChem (CID 145093833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).