1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene

C32H29F — CID 174606231

IUPAC1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene
SMILESCC1CCC(Cc2ccccc2)(c2ccc(F)cc2)c2ccc3c(c21)CCc1ccccc1-3
InChIInChI=1S/C32H29F/c1-22-19-20-32(21-23-7-3-2-4-8-23,25-12-14-26(33)15-13-25)30-18-17-28-27-10-6-5-9-24(27)11-16-29(28)31(22)30/h2-10,12-15,17-18,22H,11,16,19-21H2,1H3
InChIKeyGRWYEZWNSDFIBF-UHFFFAOYSA-N
MW432.58 g/mol
LogP8.02
Rot. Bonds3

About 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene

1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene (PubChem CID 174606231) has the molecular formula C32H29F and a molecular weight of 432.58 g/mol. Its IUPAC name is 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene.

Molecular Properties

Compound Name1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene
PubChem CID174606231
Molecular FormulaC32H29F
Molecular Weight432.58 g/mol
Exact Mass432.23
IUPAC Name1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene
SMILESCC1CCC(Cc2ccccc2)(c2ccc(F)cc2)c2ccc3c(c21)CCc1ccccc1-3
InChIInChI=1S/C32H29F/c1-22-19-20-32(21-23-7-3-2-4-8-23,25-12-14-26(33)15-13-25)30-18-17-28-27-10-6-5-9-24(27)11-16-29(28)31(22)30/h2-10,12-15,17-18,22H,11,16,19-21H2,1H3
InChIKeyGRWYEZWNSDFIBF-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.58
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
CID 174591500
1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
CID 174591494
1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
CID 174606167
(1S,4S)-4-(cyclopropylmethyl)-1-(2-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-chrysene
CID 175301683
9,10-dihydrophenanthrene;ethane
CID 143759681
2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10777325
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]
CID 158621431
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 60797953
2-[(4-fluorophenyl)methyl]-13-phenyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene tetrafluoroborate
CID 170780724
(9-amino-2,2-dibenzyl-1,1-dimethyl-3,6-dihydrochrysen-3-yl)-(4-fluorophenyl)methanone
CID 174525608
ethane;ethylbenzene;9H-fluorene;methylcyclopentane
CID 91074551

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene?
The IUPAC name of 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene (CID 174606231) is 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene.
What is the SMILES notation for 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene?
The canonical SMILES for 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene is CC1CCC(Cc2ccccc2)(c2ccc(F)cc2)c2ccc3c(c21)CCc1ccccc1-3.
What is the InChIKey of 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene?
The InChIKey is GRWYEZWNSDFIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F/c1-22-19-20-32(21-23-7-3-2-4-8-23,25-12-14-26(33)15-13-25)30-18-17-28-27-10-6-5-9-24(27)11-16-29(28)31(22)30/h2-10,12-15,17-18,22H,11,16,19-21H2,1H3.
What are the key properties of 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene?
1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene has a molecular weight of 432.58 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene is sourced from PubChem (CID 174606231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).