3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete

C37H41N — CID 67951446

IUPAC3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete
SMILESC1=CC2=C(C3CC=C(C4=CC=CC(C5C=CCCC5)C4)CC3)CCC(c3ccc(C4=CNC4)cc3)C2C=C1
InChIInChI=1S/C37H41N/c1-2-7-26(8-3-1)31-9-6-10-32(23-31)27-13-17-29(18-14-27)34-21-22-35(37-12-5-4-11-36(34)37)30-19-15-28(16-20-30)33-24-38-25-33/h2,4-7,9-13,15-16,19-20,24,26,29,31,35,37-38H,1,3,8,14,17-18,21-23,25H2
InChIKeyXOEQHCKOLKNSKJ-UHFFFAOYSA-N
MW499.74 g/mol
LogP9.13
Rot. Bonds5

About 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete

3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete (PubChem CID 67951446) has the molecular formula C37H41N and a molecular weight of 499.74 g/mol. Its IUPAC name is 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete.

Molecular Properties

Compound Name3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete
PubChem CID67951446
Molecular FormulaC37H41N
Molecular Weight499.74 g/mol
Exact Mass499.32
IUPAC Name3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete
SMILESC1=CC2=C(C3CC=C(C4=CC=CC(C5C=CCCC5)C4)CC3)CCC(c3ccc(C4=CNC4)cc3)C2C=C1
InChIInChI=1S/C37H41N/c1-2-7-26(8-3-1)31-9-6-10-32(23-31)27-13-17-29(18-14-27)34-21-22-35(37-12-5-4-11-36(34)37)30-19-15-28(16-20-30)33-24-38-25-33/h2,4-7,9-13,15-16,19-20,24,26,29,31,35,37-38H,1,3,8,14,17-18,21-23,25H2
InChIKeyXOEQHCKOLKNSKJ-UHFFFAOYSA-N
XLogP9.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.74
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete?
The IUPAC name of 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete (CID 67951446) is 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete.
What is the SMILES notation for 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete?
The canonical SMILES for 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete is C1=CC2=C(C3CC=C(C4=CC=CC(C5C=CCCC5)C4)CC3)CCC(c3ccc(C4=CNC4)cc3)C2C=C1.
What is the InChIKey of 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete?
The InChIKey is XOEQHCKOLKNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N/c1-2-7-26(8-3-1)31-9-6-10-32(23-31)27-13-17-29(18-14-27)34-21-22-35(37-12-5-4-11-36(34)37)30-19-15-28(16-20-30)33-24-38-25-33/h2,4-7,9-13,15-16,19-20,24,26,29,31,35,37-38H,1,3,8,14,17-18,21-23,25H2.
What are the key properties of 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete?
3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete has a molecular weight of 499.74 g/mol, XLogP of 9.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]phenyl]-1,2-dihydroazete is sourced from PubChem (CID 67951446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).