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

C32H29F — CID 174606167

IUPAC1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
SMILESCc1cccc(C2(c3ccccc3F)CCC(C)c3c2ccc2c3CCc3ccccc3-2)c1
InChIInChI=1S/C32H29F/c1-21-8-7-10-24(20-21)32(28-12-5-6-13-30(28)33)19-18-22(2)31-27-15-14-23-9-3-4-11-25(23)26(27)16-17-29(31)32/h3-13,16-17,20,22H,14-15,18-19H2,1-2H3
InChIKeyDTMMJUWVWSXJGW-UHFFFAOYSA-N
MW432.58 g/mol
LogP8.13
Rot. Bonds2

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

1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene (PubChem CID 174606167) has the molecular formula C32H29F and a molecular weight of 432.58 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
PubChem CID174606167
Molecular FormulaC32H29F
Molecular Weight432.58 g/mol
Exact Mass432.23
IUPAC Name1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
SMILESCc1cccc(C2(c3ccccc3F)CCC(C)c3c2ccc2c3CCc3ccccc3-2)c1
InChIInChI=1S/C32H29F/c1-21-8-7-10-24(20-21)32(28-12-5-6-13-30(28)33)19-18-22(2)31-27-15-14-23-9-3-4-11-25(23)26(27)16-17-29(31)32/h3-13,16-17,20,22H,14-15,18-19H2,1-2H3
InChIKeyDTMMJUWVWSXJGW-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.58
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene with MolForge

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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-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene
CID 174606231
(1S,4S)-4-(cyclopropylmethyl)-1-(2-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-chrysene
CID 175301683
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 90783732
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene
CID 86216203

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The IUPAC name of 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene (CID 174606167) is 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene.
What is the SMILES notation for 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The canonical SMILES for 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene is Cc1cccc(C2(c3ccccc3F)CCC(C)c3c2ccc2c3CCc3ccccc3-2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The InChIKey is DTMMJUWVWSXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F/c1-21-8-7-10-24(20-21)32(28-12-5-6-13-30(28)33)19-18-22(2)31-27-15-14-23-9-3-4-11-25(23)26(27)16-17-29(31)32/h3-13,16-17,20,22H,14-15,18-19H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene has a molecular weight of 432.58 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-methyl-1-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene is sourced from PubChem (CID 174606167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).