2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine

C43H30N4 — CID 146587201

IUPAC2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1cnccc1-c1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)c1
InChIInChI=1S/C43H30N4/c1-29-28-44-25-24-40(29)38-13-7-12-37(26-38)33-16-21-35(22-17-33)42-45-41(34-19-14-32(15-20-34)30-8-3-2-4-9-30)46-43(47-42)39-23-18-31-10-5-6-11-36(31)27-39/h2-28H,1H3
InChIKeyLEHRYEHNIRMWQT-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.73
Rot. Bonds6

About 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146587201) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID146587201
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1cnccc1-c1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)c1
InChIInChI=1S/C43H30N4/c1-29-28-44-25-24-40(29)38-13-7-12-37(26-38)33-16-21-35(22-17-33)42-45-41(34-19-14-32(15-20-34)30-8-3-2-4-9-30)46-43(47-42)39-23-18-31-10-5-6-11-36(31)27-39/h2-28H,1H3
InChIKeyLEHRYEHNIRMWQT-UHFFFAOYSA-N
XLogP10.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2-naphthalen-2-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297212
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 146587201) is 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is Cc1cnccc1-c1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)c1.
What is the InChIKey of 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LEHRYEHNIRMWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-29-28-44-25-24-40(29)38-13-7-12-37(26-38)33-16-21-35(22-17-33)42-45-41(34-19-14-32(15-20-34)30-8-3-2-4-9-30)46-43(47-42)39-23-18-31-10-5-6-11-36(31)27-39/h2-28H,1H3.
What are the key properties of 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 602.74 g/mol, XLogP of 10.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146587201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).