3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine

C43H36N2 — CID 163874679

IUPAC3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine
SMILESCC1=CC(C)C(c2c3c(c(-c4ccc5ccc(-c6cncc(-c7ccncc7)c6)cc5c4)c4ccccc24)C=CC(C)C3)C=C1
InChIInChI=1S/C43H36N2/c1-27-8-14-37(29(3)20-27)43-39-7-5-4-6-38(39)42(40-15-9-28(2)21-41(40)43)33-13-11-30-10-12-32(22-34(30)23-33)36-24-35(25-45-26-36)31-16-18-44-19-17-31/h4-20,22-26,28-29,37H,21H2,1-3H3
InChIKeyPNVTVVMJXKLCAV-UHFFFAOYSA-N
MW580.78 g/mol
LogP11.23
Rot. Bonds4

About 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine

3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine (PubChem CID 163874679) has the molecular formula C43H36N2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine.

Molecular Properties

Compound Name3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine
PubChem CID163874679
Molecular FormulaC43H36N2
Molecular Weight580.78 g/mol
Exact Mass580.29
IUPAC Name3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine
SMILESCC1=CC(C)C(c2c3c(c(-c4ccc5ccc(-c6cncc(-c7ccncc7)c6)cc5c4)c4ccccc24)C=CC(C)C3)C=C1
InChIInChI=1S/C43H36N2/c1-27-8-14-37(29(3)20-27)43-39-7-5-4-6-38(39)42(40-15-9-28(2)21-41(40)43)33-13-11-30-10-12-32(22-34(30)23-33)36-24-35(25-45-26-36)31-16-18-44-19-17-31/h4-20,22-26,28-29,37H,21H2,1-3H3
InChIKeyPNVTVVMJXKLCAV-UHFFFAOYSA-N
XLogP11.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine
CID 155052921
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 88554710
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
CID 88554596
3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642404
9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene
CID 154932307
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642605
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
CID 143250486

Frequently Asked Questions

What is the IUPAC name of 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine?
The IUPAC name of 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine (CID 163874679) is 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine.
What is the SMILES notation for 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine?
The canonical SMILES for 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine is CC1=CC(C)C(c2c3c(c(-c4ccc5ccc(-c6cncc(-c7ccncc7)c6)cc5c4)c4ccccc24)C=CC(C)C3)C=C1.
What is the InChIKey of 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine?
The InChIKey is PNVTVVMJXKLCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N2/c1-27-8-14-37(29(3)20-27)43-39-7-5-4-6-38(39)42(40-15-9-28(2)21-41(40)43)33-13-11-30-10-12-32(22-34(30)23-33)36-24-35(25-45-26-36)31-16-18-44-19-17-31/h4-20,22-26,28-29,37H,21H2,1-3H3.
What are the key properties of 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine?
3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine has a molecular weight of 580.78 g/mol, XLogP of 11.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[10-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-3,4-dihydroanthracen-9-yl]naphthalen-2-yl]-5-pyridin-4-ylpyridine is sourced from PubChem (CID 163874679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).