6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine

C42H31N — CID 88554494

IUPAC6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4cccc(-c5ccc(C6=CCCC=N6)cc5)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C42H31N/c1-28-16-17-33-27-35(23-22-32(33)25-28)42-38-13-4-2-11-36(38)41(37-12-3-5-14-39(37)42)34-10-8-9-31(26-34)29-18-20-30(21-19-29)40-15-6-7-24-43-40/h2-5,8-27H,6-7H2,1H3
InChIKeyXHQGAOWYKGZKAZ-UHFFFAOYSA-N
MW549.72 g/mol
LogP11.66
Rot. Bonds4

About 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine

6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine (PubChem CID 88554494) has the molecular formula C42H31N and a molecular weight of 549.72 g/mol. Its IUPAC name is 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine
PubChem CID88554494
Molecular FormulaC42H31N
Molecular Weight549.72 g/mol
Exact Mass549.25
IUPAC Name6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4cccc(-c5ccc(C6=CCCC=N6)cc5)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C42H31N/c1-28-16-17-33-27-35(23-22-32(33)25-28)42-38-13-4-2-11-36(38)41(37-12-3-5-14-39(37)42)34-10-8-9-31(26-34)29-18-20-30(21-19-29)40-15-6-7-24-43-40/h2-5,8-27H,6-7H2,1H3
InChIKeyXHQGAOWYKGZKAZ-UHFFFAOYSA-N
XLogP11.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 511.66
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

9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
CID 58876057
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine?
The IUPAC name of 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine (CID 88554494) is 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine.
What is the SMILES notation for 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine?
The canonical SMILES for 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine is Cc1ccc2cc(-c3c4ccccc4c(-c4cccc(-c5ccc(C6=CCCC=N6)cc5)c4)c4ccccc34)ccc2c1.
What is the InChIKey of 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine?
The InChIKey is XHQGAOWYKGZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N/c1-28-16-17-33-27-35(23-22-32(33)25-28)42-38-13-4-2-11-36(38)41(37-12-3-5-14-39(37)42)34-10-8-9-31(26-34)29-18-20-30(21-19-29)40-15-6-7-24-43-40/h2-5,8-27H,6-7H2,1H3.
What are the key properties of 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine?
6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine has a molecular weight of 549.72 g/mol, XLogP of 11.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-3,4-dihydropyridine is sourced from PubChem (CID 88554494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).