1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene

C28H28 — CID 144703387

IUPAC1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
SMILESCC1(C)C=CC=C(c2ccc(C3=CC=CC(C)(C)C=C3)c3ccccc23)C=C1
InChIInChI=1S/C28H28/c1-27(2)17-7-9-21(15-19-27)23-13-14-24(26-12-6-5-11-25(23)26)22-10-8-18-28(3,4)20-16-22/h5-20H,1-4H3
InChIKeyRQTHDVKBXXRFKS-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.91
Rot. Bonds2

About 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene

1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene (PubChem CID 144703387) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene.

Molecular Properties

Compound Name1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
PubChem CID144703387
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
SMILESCC1(C)C=CC=C(c2ccc(C3=CC=CC(C)(C)C=C3)c3ccccc23)C=C1
InChIInChI=1S/C28H28/c1-27(2)17-7-9-21(15-19-27)23-13-14-24(26-12-6-5-11-25(23)26)22-10-8-18-28(3,4)20-16-22/h5-20H,1-4H3
InChIKeyRQTHDVKBXXRFKS-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-di(cyclooctatetraenyl)naphthalene
CID 90786287
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
CID 138481846
3-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1λ3-iodacyclohexa-1,3,5-triene
CID 163543681
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 129170982
3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
CID 145419102
1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
CID 145162638
9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene
CID 123478090
7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 178082899
7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483
4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine
CID 146580162
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
CID 170198624

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene?
The IUPAC name of 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene (CID 144703387) is 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene.
What is the SMILES notation for 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene?
The canonical SMILES for 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene is CC1(C)C=CC=C(c2ccc(C3=CC=CC(C)(C)C=C3)c3ccccc23)C=C1.
What is the InChIKey of 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene?
The InChIKey is RQTHDVKBXXRFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28/c1-27(2)17-7-9-21(15-19-27)23-13-14-24(26-12-6-5-11-25(23)26)22-10-8-18-28(3,4)20-16-22/h5-20H,1-4H3.
What are the key properties of 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene?
1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene has a molecular weight of 364.53 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene is sourced from PubChem (CID 144703387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).