9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene

C28H30 — CID 163953607

IUPAC9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene
SMILESCC1C=CC(c2c3c(c(C4CC=CCC4C)c4ccccc24)=CCCC=3)=CC1
InChIInChI=1S/C28H30/c1-19-15-17-21(18-16-19)27-23-11-5-7-13-25(23)28(22-10-4-3-9-20(22)2)26-14-8-6-12-24(26)27/h3-5,7,11-15,17-20,22H,6,8-10,16H2,1-2H3
InChIKeySBLXEKKJZDUDTL-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.24
Rot. Bonds2

About 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene

9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene (PubChem CID 163953607) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene.

Molecular Properties

Compound Name9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene
PubChem CID163953607
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene
SMILESCC1C=CC(c2c3c(c(C4CC=CCC4C)c4ccccc24)=CCCC=3)=CC1
InChIInChI=1S/C28H30/c1-19-15-17-21(18-16-19)27-23-11-5-7-13-25(23)28(22-10-4-3-9-20(22)2)26-14-8-6-12-24(26)27/h3-5,7,11-15,17-20,22H,6,8-10,16H2,1-2H3
InChIKeySBLXEKKJZDUDTL-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene?
The IUPAC name of 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene (CID 163953607) is 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene.
What is the SMILES notation for 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene?
The canonical SMILES for 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene is CC1C=CC(c2c3c(c(C4CC=CCC4C)c4ccccc24)=CCCC=3)=CC1.
What is the InChIKey of 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene?
The InChIKey is SBLXEKKJZDUDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-19-15-17-21(18-16-19)27-23-11-5-7-13-25(23)28(22-10-4-3-9-20(22)2)26-14-8-6-12-24(26)27/h3-5,7,11-15,17-20,22H,6,8-10,16H2,1-2H3.
What are the key properties of 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene?
9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene has a molecular weight of 366.55 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene is sourced from PubChem (CID 163953607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).