1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene

C50H49Cl4F — CID 146641120

IUPAC1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene
SMILESCCc1ccccc1C(c1ccc(F)c(CC(C)C(c2cccc(Cl)c2)c2cc(Cl)cc(CC(C)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c2)c1)C(C)C
InChIInChI=1S/C50H49Cl4F/c1-6-35-10-7-8-13-46(35)48(31(2)3)39-18-23-47(55)40(28-39)25-33(5)50(38-11-9-12-44(53)29-38)41-26-34(27-45(54)30-41)24-32(4)49(36-14-19-42(51)20-15-36)37-16-21-43(52)22-17-37/h7-23,26-33,48-50H,6,24-25H2,1-5H3
InChIKeyUMUSLYIHDUMYLO-UHFFFAOYSA-N
MW810.75 g/mol
LogP15.81
Rot. Bonds14

About 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene

1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene (PubChem CID 146641120) has the molecular formula C50H49Cl4F and a molecular weight of 810.75 g/mol. Its IUPAC name is 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene.

Molecular Properties

Compound Name1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene
PubChem CID146641120
Molecular FormulaC50H49Cl4F
Molecular Weight810.75 g/mol
Exact Mass808.26
IUPAC Name1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene
SMILESCCc1ccccc1C(c1ccc(F)c(CC(C)C(c2cccc(Cl)c2)c2cc(Cl)cc(CC(C)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c2)c1)C(C)C
InChIInChI=1S/C50H49Cl4F/c1-6-35-10-7-8-13-46(35)48(31(2)3)39-18-23-47(55)40(28-39)25-33(5)50(38-11-9-12-44(53)29-38)41-26-34(27-45(54)30-41)24-32(4)49(36-14-19-42(51)20-15-36)37-16-21-43(52)22-17-37/h7-23,26-33,48-50H,6,24-25H2,1-5H3
InChIKeyUMUSLYIHDUMYLO-UHFFFAOYSA-N
XLogP15.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.75
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene with MolForge

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Related Compounds

1-chloro-4-(2-methyl-1-phenylpropyl)benzene
CID 22890486
2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine
CID 146640882
1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022752
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
1-fluoro-2-[2-methyl-1-[3-[3-(1-phenylpropyl)phenyl]phenyl]propyl]benzene
CID 146641114
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
1-chloro-2-(2-methyl-1-phenylpropyl)benzene;1-chloro-3-(2-methyl-1-phenylpropyl)benzene;1,2-difluoro-3-(2-methyl-1-phenylpropyl)benzene;1,3-difluoro-2-(2-methyl-1-phenylpropyl)benzene;1,3-difluoro-5-(2-methyl-1-phenylpropyl)benzene;2,4-difluoro-1-(2-methyl-1-phenylpropyl)benzene;1-fluoro-2-[1-(2-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-3-[1-(3-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;(2-methyl-1-phenylpropyl)benzene;1-(2-methyl-1-phenylpropyl)-4-(trifluoromethoxy)benzene
CID 158410937
3-(3-chlorophenyl)-3-[3-(iodomethyl)phenyl]-2-methylpropan-1-amine
CID 89376982

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene?
The IUPAC name of 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene (CID 146641120) is 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene.
What is the SMILES notation for 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene?
The canonical SMILES for 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene is CCc1ccccc1C(c1ccc(F)c(CC(C)C(c2cccc(Cl)c2)c2cc(Cl)cc(CC(C)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c2)c1)C(C)C.
What is the InChIKey of 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene?
The InChIKey is UMUSLYIHDUMYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49Cl4F/c1-6-35-10-7-8-13-46(35)48(31(2)3)39-18-23-47(55)40(28-39)25-33(5)50(38-11-9-12-44(53)29-38)41-26-34(27-45(54)30-41)24-32(4)49(36-14-19-42(51)20-15-36)37-16-21-43(52)22-17-37/h7-23,26-33,48-50H,6,24-25H2,1-5H3.
What are the key properties of 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene?
1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene has a molecular weight of 810.75 g/mol, XLogP of 15.81, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene is sourced from PubChem (CID 146641120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).