3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine

C38H27N — CID 90361636

IUPAC3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
SMILESCc1ncccc1-c1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C38H27N/c1-26-32(17-10-24-39-26)28-20-18-27(19-21-28)31-22-23-35-36(25-31)38(30-13-6-3-7-14-30)34-16-9-8-15-33(34)37(35)29-11-4-2-5-12-29/h2-25H,1H3
InChIKeyDLEKXZFDHZBPRQ-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.36
Rot. Bonds4

About 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine

3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine (PubChem CID 90361636) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine.

Molecular Properties

Compound Name3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
PubChem CID90361636
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
SMILESCc1ncccc1-c1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C38H27N/c1-26-32(17-10-24-39-26)28-20-18-27(19-21-28)31-22-23-35-36(25-31)38(30-13-6-3-7-14-30)34-16-9-8-15-33(34)37(35)29-11-4-2-5-12-29/h2-25H,1H3
InChIKeyDLEKXZFDHZBPRQ-UHFFFAOYSA-N
XLogP10.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642459
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361392
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 122642646
3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine
CID 146355812
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylpyridine
CID 90361507
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine?
The IUPAC name of 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine (CID 90361636) is 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine.
What is the SMILES notation for 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine?
The canonical SMILES for 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine is Cc1ncccc1-c1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine?
The InChIKey is DLEKXZFDHZBPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-26-32(17-10-24-39-26)28-20-18-27(19-21-28)31-22-23-35-36(25-31)38(30-13-6-3-7-14-30)34-16-9-8-15-33(34)37(35)29-11-4-2-5-12-29/h2-25H,1H3.
What are the key properties of 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine?
3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine has a molecular weight of 497.64 g/mol, XLogP of 10.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine is sourced from PubChem (CID 90361636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).