3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine

C36H27N — CID 155052921

IUPAC3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine
SMILESCC1C=Cc2c(c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C36H27N/c1-24-12-19-33-34(21-24)36(29-18-15-25-7-2-3-8-28(25)22-29)32-11-5-4-10-31(32)35(33)27-16-13-26(14-17-27)30-9-6-20-37-23-30/h2-20,22-24H,21H2,1H3
InChIKeyMKMGTLREKQIHRB-UHFFFAOYSA-N
MW473.62 g/mol
LogP9.59
Rot. Bonds3

About 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine

3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine (PubChem CID 155052921) has the molecular formula C36H27N and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine
PubChem CID155052921
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine
SMILESCC1C=Cc2c(c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C36H27N/c1-24-12-19-33-34(21-24)36(29-18-15-25-7-2-3-8-28(25)22-29)32-11-5-4-10-31(32)35(33)27-16-13-26(14-17-27)30-9-6-20-37-23-30/h2-20,22-24H,21H2,1H3
InChIKeyMKMGTLREKQIHRB-UHFFFAOYSA-N
XLogP9.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
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
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene
CID 154932307
3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554561
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
CID 143250486
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine?
The IUPAC name of 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine (CID 155052921) is 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine.
What is the SMILES notation for 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine?
The canonical SMILES for 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine is CC1C=Cc2c(c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc(-c3cccnc3)cc2)C1.
What is the InChIKey of 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine?
The InChIKey is MKMGTLREKQIHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-24-12-19-33-34(21-24)36(29-18-15-25-7-2-3-8-28(25)22-29)32-11-5-4-10-31(32)35(33)27-16-13-26(14-17-27)30-9-6-20-37-23-30/h2-20,22-24H,21H2,1H3.
What are the key properties of 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine?
3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine has a molecular weight of 473.62 g/mol, XLogP of 9.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine is sourced from PubChem (CID 155052921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).