2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine

C36H35N — CID 89001014

IUPAC2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine
SMILESCC1=CCCC(c2c3c(c(C4=CC=C(C5=CC6=CC=CCC6CC5)CC4)c4ccccc24)=CCCC=3)=N1
InChIInChI=1S/C36H35N/c1-24-9-8-16-34(37-24)36-32-14-6-4-12-30(32)35(31-13-5-7-15-33(31)36)27-20-17-26(18-21-27)29-22-19-25-10-2-3-11-28(25)23-29/h2-4,6,9,11-15,17,20,23,25H,5,7-8,10,16,18-19,21-22H2,1H3
InChIKeyPWPVNXVZKCOVHE-UHFFFAOYSA-N
MW481.68 g/mol
LogP8.01
Rot. Bonds3

About 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine

2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine (PubChem CID 89001014) has the molecular formula C36H35N and a molecular weight of 481.68 g/mol. Its IUPAC name is 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine
PubChem CID89001014
Molecular FormulaC36H35N
Molecular Weight481.68 g/mol
Exact Mass481.28
IUPAC Name2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine
SMILESCC1=CCCC(c2c3c(c(C4=CC=C(C5=CC6=CC=CCC6CC5)CC4)c4ccccc24)=CCCC=3)=N1
InChIInChI=1S/C36H35N/c1-24-9-8-16-34(37-24)36-32-14-6-4-12-30(32)35(31-13-5-7-15-33(31)36)27-20-17-26(18-21-27)29-22-19-25-10-2-3-11-28(25)23-29/h2-4,6,9,11-15,17,20,23,25H,5,7-8,10,16,18-19,21-22H2,1H3
InChIKeyPWPVNXVZKCOVHE-UHFFFAOYSA-N
XLogP8.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine?
The IUPAC name of 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine (CID 89001014) is 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine is CC1=CCCC(c2c3c(c(C4=CC=C(C5=CC6=CC=CCC6CC5)CC4)c4ccccc24)=CCCC=3)=N1.
What is the InChIKey of 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine?
The InChIKey is PWPVNXVZKCOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N/c1-24-9-8-16-34(37-24)36-32-14-6-4-12-30(32)35(31-13-5-7-15-33(31)36)27-20-17-26(18-21-27)29-22-19-25-10-2-3-11-28(25)23-29/h2-4,6,9,11-15,17,20,23,25H,5,7-8,10,16,18-19,21-22H2,1H3.
What are the key properties of 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine?
2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine has a molecular weight of 481.68 g/mol, XLogP of 8.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine is sourced from PubChem (CID 89001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).