1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene

C25H22 — CID 141019438

IUPAC1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene
SMILESC1=c2ccccc2=C(c2ccc(C3CC3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H22/c1-2-7-19(8-3-1)25-17-21(15-16-24(25)20-13-14-20)23-12-6-10-18-9-4-5-11-22(18)23/h1-5,7-11,15-17,20H,6,12-14H2
InChIKeyLOLKMLWQPYPAJN-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.00
Rot. Bonds3

About 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene

1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene (PubChem CID 141019438) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene
PubChem CID141019438
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene
SMILESC1=c2ccccc2=C(c2ccc(C3CC3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H22/c1-2-7-19(8-3-1)25-17-21(15-16-24(25)20-13-14-20)23-12-6-10-18-9-4-5-11-22(18)23/h1-5,7-11,15-17,20H,6,12-14H2
InChIKeyLOLKMLWQPYPAJN-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene
CID 143986271
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,3-dihydronaphthalen-1-amine
CID 167202542
4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155203946
1-cyclobutyl-2-phenylbenzene
CID 23453799
2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170229900
2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline
CID 170296120
methanethiol;1-methyl-2,3-dihydronaphthalene
CID 143782367
2,3-dihydronaphthalen-1-ol;methane
CID 145444445
2,3-dihydronaphthalene-1-carboxylic acid
CID 87593840
1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene
CID 173487010
2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297887

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene?
The IUPAC name of 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene (CID 141019438) is 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene.
What is the SMILES notation for 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene?
The canonical SMILES for 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene is C1=c2ccccc2=C(c2ccc(C3CC3)c(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene?
The InChIKey is LOLKMLWQPYPAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-2-7-19(8-3-1)25-17-21(15-16-24(25)20-13-14-20)23-12-6-10-18-9-4-5-11-22(18)23/h1-5,7-11,15-17,20H,6,12-14H2.
What are the key properties of 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene?
1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene has a molecular weight of 322.45 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene is sourced from PubChem (CID 141019438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).