5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine

C36H35N — CID 174299586

IUPAC5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine
SMILESCC12C=CC=CC1=CC=C(C1=C3C=CCCC3=C(C3=CC=C(C4=CN=CCC4)CC3)C3=CC=CCC31)C2
InChIInChI=1S/C36H35N/c1-36-21-7-6-10-29(36)20-19-27(23-36)35-32-13-4-2-11-30(32)34(31-12-3-5-14-33(31)35)26-17-15-25(16-18-26)28-9-8-22-37-24-28/h2,4-7,10-11,14-15,17,19-22,24,32H,3,8-9,12-13,16,18,23H2,1H3
InChIKeyAXFCKFBSSLYIRU-UHFFFAOYSA-N
MW481.68 g/mol
LogP9.23
Rot. Bonds3

About 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine

5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine (PubChem CID 174299586) has the molecular formula C36H35N and a molecular weight of 481.68 g/mol. Its IUPAC name is 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine
PubChem CID174299586
Molecular FormulaC36H35N
Molecular Weight481.68 g/mol
Exact Mass481.28
IUPAC Name5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine
SMILESCC12C=CC=CC1=CC=C(C1=C3C=CCCC3=C(C3=CC=C(C4=CN=CCC4)CC3)C3=CC=CCC31)C2
InChIInChI=1S/C36H35N/c1-36-21-7-6-10-29(36)20-19-27(23-36)35-32-13-4-2-11-30(32)34(31-12-3-5-14-33(31)35)26-17-15-25(16-18-26)28-9-8-22-37-24-28/h2,4-7,10-11,14-15,17,19-22,24,32H,3,8-9,12-13,16,18,23H2,1H3
InChIKeyAXFCKFBSSLYIRU-UHFFFAOYSA-N
XLogP9.23
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 ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine?
The IUPAC name of 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine (CID 174299586) is 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine.
What is the SMILES notation for 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine?
The canonical SMILES for 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine is CC12C=CC=CC1=CC=C(C1=C3C=CCCC3=C(C3=CC=C(C4=CN=CCC4)CC3)C3=CC=CCC31)C2.
What is the InChIKey of 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine?
The InChIKey is AXFCKFBSSLYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N/c1-36-21-7-6-10-29(36)20-19-27(23-36)35-32-13-4-2-11-30(32)34(31-12-3-5-14-33(31)35)26-17-15-25(16-18-26)28-9-8-22-37-24-28/h2,4-7,10-11,14-15,17,19-22,24,32H,3,8-9,12-13,16,18,23H2,1H3.
What are the key properties of 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine?
5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine has a molecular weight of 481.68 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[10-(8a-methyl-1H-naphthalen-2-yl)-1,2,5,10a-tetrahydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine is sourced from PubChem (CID 174299586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).