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

C32H29Cl — CID 174591494

IUPAC1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
SMILESCc1ccccc1C1(c2ccc(Cl)cc2)CCC(C)c2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C32H29Cl/c1-21-7-3-6-10-29(21)32(24-12-14-25(33)15-13-24)20-19-22(2)31-28-16-11-23-8-4-5-9-26(23)27(28)17-18-30(31)32/h3-10,12-15,17-18,22H,11,16,19-20H2,1-2H3
InChIKeyYZDPDMAGACESGL-UHFFFAOYSA-N
MW449.04 g/mol
LogP8.65
Rot. Bonds2

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

1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene (PubChem CID 174591494) has the molecular formula C32H29Cl and a molecular weight of 449.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
PubChem CID174591494
Molecular FormulaC32H29Cl
Molecular Weight449.04 g/mol
Exact Mass448.20
IUPAC Name1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
SMILESCc1ccccc1C1(c2ccc(Cl)cc2)CCC(C)c2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C32H29Cl/c1-21-7-3-6-10-29(21)32(24-12-14-25(33)15-13-24)20-19-22(2)31-28-16-11-23-8-4-5-9-26(23)27(28)17-18-30(31)32/h3-10,12-15,17-18,22H,11,16,19-20H2,1-2H3
InChIKeyYZDPDMAGACESGL-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-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
CID 174591500
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
1-benzyl-1-(4-fluorophenyl)-4-methyl-3,4,5,6-tetrahydro-2H-chrysene
CID 174606231
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
9,10-dihydrophenanthrene;ethane
CID 143759681
2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene
CID 174431385
1,2,3-trimethyl-1,4,5,6-tetrahydrochrysene
CID 174829865
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
1,1,2-trimethyl-5,6-dihydro-4H-chrysene-3-carbonitrile
CID 174721362
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
2-(1,2,3,4,5,6-hexahydrochrysen-2-yl)pyrimidine
CID 174535292

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene (CID 174591494) is 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene is Cc1ccccc1C1(c2ccc(Cl)cc2)CCC(C)c2c1ccc1c2CCc2ccccc2-1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
The InChIKey is YZDPDMAGACESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl/c1-21-7-3-6-10-29(21)32(24-12-14-25(33)15-13-24)20-19-22(2)31-28-16-11-23-8-4-5-9-26(23)27(28)17-18-30(31)32/h3-10,12-15,17-18,22H,11,16,19-20H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-methyl-1-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene?
1-(4-chlorophenyl)-4-methyl-1-(2-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-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene is sourced from PubChem (CID 174591494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).