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

C32H29Cl — CID 174591500

IUPAC1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
SMILESCc1ccc(C2(c3ccc(Cl)cc3)CCC(C)c3c2ccc2c3CCc3ccccc3-2)cc1
InChIInChI=1S/C32H29Cl/c1-21-7-10-24(11-8-21)32(25-12-14-26(33)15-13-25)20-19-22(2)31-29-16-9-23-5-3-4-6-27(23)28(29)17-18-30(31)32/h3-8,10-15,17-18,22H,9,16,19-20H2,1-2H3
InChIKeyVTFMJQWUJOMVRT-UHFFFAOYSA-N
MW449.04 g/mol
LogP8.65
Rot. Bonds2

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

1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene (PubChem CID 174591500) has the molecular formula C32H29Cl and a molecular weight of 449.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
PubChem CID174591500
Molecular FormulaC32H29Cl
Molecular Weight449.04 g/mol
Exact Mass448.20
IUPAC Name1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
SMILESCc1ccc(C2(c3ccc(Cl)cc3)CCC(C)c3c2ccc2c3CCc3ccccc3-2)cc1
InChIInChI=1S/C32H29Cl/c1-21-7-10-24(11-8-21)32(25-12-14-26(33)15-13-25)20-19-22(2)31-29-16-9-23-5-3-4-6-27(23)28(29)17-18-30(31)32/h3-8,10-15,17-18,22H,9,16,19-20H2,1-2H3
InChIKeyVTFMJQWUJOMVRT-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.04
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
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
2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene
CID 174431385
5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 90783732
1,1,2-trimethyl-5,6-dihydro-4H-chrysene-3-carbonitrile
CID 174721362
3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene
CID 144931304
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
CID 86243907
9,10-dihydrophenanthrene;ethane
CID 143759681
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene (CID 174591500) is 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene is Cc1ccc(C2(c3ccc(Cl)cc3)CCC(C)c3c2ccc2c3CCc3ccccc3-2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The InChIKey is VTFMJQWUJOMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl/c1-21-7-10-24(11-8-21)32(25-12-14-26(33)15-13-25)20-19-22(2)31-29-16-9-23-5-3-4-6-27(23)28(29)17-18-30(31)32/h3-8,10-15,17-18,22H,9,16,19-20H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene has a molecular weight of 449.04 g/mol, XLogP of 8.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene is sourced from PubChem (CID 174591500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).