5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane

C48H52 — CID 123394751

IUPAC5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
SMILESCC.Cc1cc(-c2c(C)cc(-c3cc(-c4ccccc4)cc(-c4cc(C)c(-c5cc(C)c(C)c(C)c5)c(C)c4)c3)cc2C)cc(C)c1C
InChIInChI=1S/C46H46.C2H6/c1-27-16-43(17-28(2)35(27)9)45-31(5)20-38(21-32(45)6)41-24-40(37-14-12-11-13-15-37)25-42(26-41)39-22-33(7)46(34(8)23-39)44-18-29(3)36(10)30(4)19-44;1-2/h11-26H,1-10H3;1-2H3
InChIKeyAHVOWNRGGOPPHB-UHFFFAOYSA-N
MW628.94 g/mol
LogP14.13
Rot. Bonds5

About 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane

5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane (PubChem CID 123394751) has the molecular formula C48H52 and a molecular weight of 628.94 g/mol. Its IUPAC name is 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane.

Molecular Properties

Compound Name5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
PubChem CID123394751
Molecular FormulaC48H52
Molecular Weight628.94 g/mol
Exact Mass628.41
IUPAC Name5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
SMILESCC.Cc1cc(-c2c(C)cc(-c3cc(-c4ccccc4)cc(-c4cc(C)c(-c5cc(C)c(C)c(C)c5)c(C)c4)c3)cc2C)cc(C)c1C
InChIInChI=1S/C46H46.C2H6/c1-27-16-43(17-28(2)35(27)9)45-31(5)20-38(21-32(45)6)41-24-40(37-14-12-11-13-15-37)25-42(26-41)39-22-33(7)46(34(8)23-39)44-18-29(3)36(10)30(4)19-44;1-2/h11-26H,1-10H3;1-2H3
InChIKeyAHVOWNRGGOPPHB-UHFFFAOYSA-N
XLogP14.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.94
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene
CID 123939497
4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
CID 143197342
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
2,3-dimethyl-N,5-diphenylaniline
CID 174892862
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane?
The IUPAC name of 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane (CID 123394751) is 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane.
What is the SMILES notation for 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane?
The canonical SMILES for 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane is CC.Cc1cc(-c2c(C)cc(-c3cc(-c4ccccc4)cc(-c4cc(C)c(-c5cc(C)c(C)c(C)c5)c(C)c4)c3)cc2C)cc(C)c1C.
What is the InChIKey of 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane?
The InChIKey is AHVOWNRGGOPPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46.C2H6/c1-27-16-43(17-28(2)35(27)9)45-31(5)20-38(21-32(45)6)41-24-40(37-14-12-11-13-15-37)25-42(26-41)39-22-33(7)46(34(8)23-39)44-18-29(3)36(10)30(4)19-44;1-2/h11-26H,1-10H3;1-2H3.
What are the key properties of 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane?
5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane has a molecular weight of 628.94 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane is sourced from PubChem (CID 123394751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).