9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene

C25H22 — CID 123440428

IUPAC9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene
SMILESC=C(C)C=CC(=C)C(=C)C=c1c(=C)c2ccccc2c2ccccc12
InChIInChI=1S/C25H22/c1-17(2)14-15-18(3)19(4)16-25-20(5)21-10-6-7-11-22(21)23-12-8-9-13-24(23)25/h6-16H,1,3-5H2,2H3
InChIKeySZXWFXRAUQQHOD-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.43
Rot. Bonds4

About 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene

9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene (PubChem CID 123440428) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene.

Molecular Properties

Compound Name9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene
PubChem CID123440428
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene
SMILESC=C(C)C=CC(=C)C(=C)C=c1c(=C)c2ccccc2c2ccccc12
InChIInChI=1S/C25H22/c1-17(2)14-15-18(3)19(4)16-25-20(5)21-10-6-7-11-22(21)23-12-8-9-13-24(23)25/h6-16H,1,3-5H2,2H3
InChIKeySZXWFXRAUQQHOD-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9E)-9-ethylidene-10-methylidenephenanthrene
CID 142424633
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(10E)-9-methylidene-10-prop-2-enylidenephenanthrene
CID 145283631
2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene
CID 143782740
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(3Z)-2-methylidene-3-(2-methylprop-2-enylidene)-1H-indole
CID 143173663
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
CID 144678741
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
CID 143933748
[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene
CID 134882097

Frequently Asked Questions

What is the IUPAC name of 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene?
The IUPAC name of 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene (CID 123440428) is 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene.
What is the SMILES notation for 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene?
The canonical SMILES for 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene is C=C(C)C=CC(=C)C(=C)C=c1c(=C)c2ccccc2c2ccccc12.
What is the InChIKey of 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene?
The InChIKey is SZXWFXRAUQQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-17(2)14-15-18(3)19(4)16-25-20(5)21-10-6-7-11-22(21)23-12-8-9-13-24(23)25/h6-16H,1,3-5H2,2H3.
What are the key properties of 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene?
9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene has a molecular weight of 322.45 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene is sourced from PubChem (CID 123440428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).