1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene

C18H16 — CID 143924056

IUPAC1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
SMILESCC1=CC=C(c2cccc3ccccc23)CC=C1
InChIInChI=1S/C18H16/c1-14-6-4-8-16(13-12-14)18-11-5-9-15-7-2-3-10-17(15)18/h2-7,9-13H,8H2,1H3
InChIKeyILABSGCAIQSIFH-UHFFFAOYSA-N
MW232.33 g/mol
LogP5.13
Rot. Bonds1

About 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene

1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene (PubChem CID 143924056) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene.

Molecular Properties

Compound Name1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
PubChem CID143924056
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
SMILESCC1=CC=C(c2cccc3ccccc23)CC=C1
InChIInChI=1S/C18H16/c1-14-6-4-8-16(13-12-14)18-11-5-9-15-7-2-3-10-17(15)18/h2-7,9-13H,8H2,1H3
InChIKeyILABSGCAIQSIFH-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)
CID 173449057
4-naphthalen-1-ylcyclohex-3-en-1-one
CID 79020378
1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
CID 19892519
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
5-naphthalen-1-yl-9H-benzo[7]annulene
CID 142998872
1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene
CID 22250706

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene?
The IUPAC name of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene (CID 143924056) is 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene.
What is the SMILES notation for 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene?
The canonical SMILES for 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene is CC1=CC=C(c2cccc3ccccc23)CC=C1.
What is the InChIKey of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene?
The InChIKey is ILABSGCAIQSIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-14-6-4-8-16(13-12-14)18-11-5-9-15-7-2-3-10-17(15)18/h2-7,9-13H,8H2,1H3.
What are the key properties of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene?
1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene has a molecular weight of 232.33 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene is sourced from PubChem (CID 143924056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).