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

C36H35N — CID 89001005

IUPAC5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine
SMILESCC1=NC=C(c2c3c(c(C4=CC=C(C5=CC6=CC=CCC6CC5)CC4)c4ccccc24)=CCCC=3)CC1
InChIInChI=1S/C36H35N/c1-24-14-15-30(23-37-24)36-33-12-6-4-10-31(33)35(32-11-5-7-13-34(32)36)27-19-16-26(17-20-27)29-21-18-25-8-2-3-9-28(25)22-29/h2-4,6,9-13,16,19,22-23,25H,5,7-8,14-15,17-18,20-21H2,1H3
InChIKeyDUEFWZSENXMQBQ-UHFFFAOYSA-N
MW481.68 g/mol
LogP8.12
Rot. Bonds3

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

5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine (PubChem CID 89001005) has the molecular formula C36H35N and a molecular weight of 481.68 g/mol. Its IUPAC name is 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine
PubChem CID89001005
Molecular FormulaC36H35N
Molecular Weight481.68 g/mol
Exact Mass481.28
IUPAC Name5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine
SMILESCC1=NC=C(c2c3c(c(C4=CC=C(C5=CC6=CC=CCC6CC5)CC4)c4ccccc24)=CCCC=3)CC1
InChIInChI=1S/C36H35N/c1-24-14-15-30(23-37-24)36-33-12-6-4-10-31(33)35(32-11-5-7-13-34(32)36)27-19-16-26(17-20-27)29-21-18-25-8-2-3-9-28(25)22-29/h2-4,6,9-13,16,19,22-23,25H,5,7-8,14-15,17-18,20-21H2,1H3
InChIKeyDUEFWZSENXMQBQ-UHFFFAOYSA-N
XLogP8.12
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 ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine?
The IUPAC name of 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine (CID 89001005) is 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine is CC1=NC=C(c2c3c(c(C4=CC=C(C5=CC6=CC=CCC6CC5)CC4)c4ccccc24)=CCCC=3)CC1.
What is the InChIKey of 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine?
The InChIKey is DUEFWZSENXMQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N/c1-24-14-15-30(23-37-24)36-33-12-6-4-10-31(33)35(32-11-5-7-13-34(32)36)27-19-16-26(17-20-27)29-21-18-25-8-2-3-9-28(25)22-29/h2-4,6,9-13,16,19,22-23,25H,5,7-8,14-15,17-18,20-21H2,1H3.
What are the key properties of 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine?
5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine has a molecular weight of 481.68 g/mol, XLogP of 8.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 89001005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).