4-phenyl-1,2-dihydrocyclobuta[a]naphthalene

C18H14 — CID 163649392

IUPAC4-phenyl-1,2-dihydrocyclobuta[a]naphthalene
SMILESc1ccc(-c2cc3c(c4ccccc24)CC3)cc1
InChIInChI=1S/C18H14/c1-2-6-13(7-3-1)18-12-14-10-11-15(14)16-8-4-5-9-17(16)18/h1-9,12H,10-11H2
InChIKeyIKYWSKMWLIZAER-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.61
Rot. Bonds1

About 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene

4-phenyl-1,2-dihydrocyclobuta[a]naphthalene (PubChem CID 163649392) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene.

Molecular Properties

Compound Name4-phenyl-1,2-dihydrocyclobuta[a]naphthalene
PubChem CID163649392
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name4-phenyl-1,2-dihydrocyclobuta[a]naphthalene
SMILESc1ccc(-c2cc3c(c4ccccc24)CC3)cc1
InChIInChI=1S/C18H14/c1-2-6-13(7-3-1)18-12-14-10-11-15(14)16-8-4-5-9-17(16)18/h1-9,12H,10-11H2
InChIKeyIKYWSKMWLIZAER-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine
CID 174358591
2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine
CID 145163333
1,3-diphenylphenanthrene
CID 13011098
CID 140759310
CID 140759310
[3-phenyl-1-(3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl] hypofluorite
CID 142141369
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 175057445
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
deuteride;1,3,6,8-tetraphenylpyrene
CID 159757384
2,4-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium;fluoride;dihydrofluoride
CID 12872716
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
7-phenyl-2,3-dihydroinden-1-one
CID 13146457

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene?
The IUPAC name of 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene (CID 163649392) is 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene.
What is the SMILES notation for 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene?
The canonical SMILES for 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene is c1ccc(-c2cc3c(c4ccccc24)CC3)cc1.
What is the InChIKey of 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene?
The InChIKey is IKYWSKMWLIZAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-2-6-13(7-3-1)18-12-14-10-11-15(14)16-8-4-5-9-17(16)18/h1-9,12H,10-11H2.
What are the key properties of 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene?
4-phenyl-1,2-dihydrocyclobuta[a]naphthalene has a molecular weight of 230.31 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2-dihydrocyclobuta[a]naphthalene is sourced from PubChem (CID 163649392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).