1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene

C36H42 — CID 91401527

IUPAC1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(-c2ccc(-c3ccc(-c4cccc(C(C)C)c4C(C)C)cc3)cc2)c1C(C)C
InChIInChI=1S/C36H42/c1-23(2)31-11-9-13-33(35(31)25(5)6)29-19-15-27(16-20-29)28-17-21-30(22-18-28)34-14-10-12-32(24(3)4)36(34)26(7)8/h9-26H,1-8H3
InChIKeyDGEQFVWOOXJXAH-UHFFFAOYSA-N
MW474.73 g/mol
LogP11.18
Rot. Bonds7

About 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene

1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene (PubChem CID 91401527) has the molecular formula C36H42 and a molecular weight of 474.73 g/mol. Its IUPAC name is 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
PubChem CID91401527
Molecular FormulaC36H42
Molecular Weight474.73 g/mol
Exact Mass474.33
IUPAC Name1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(-c2ccc(-c3ccc(-c4cccc(C(C)C)c4C(C)C)cc3)cc2)c1C(C)C
InChIInChI=1S/C36H42/c1-23(2)31-11-9-13-33(35(31)25(5)6)29-19-15-27(16-20-29)28-17-21-30(22-18-28)34-14-10-12-32(24(3)4)36(34)26(7)8/h9-26H,1-8H3
InChIKeyDGEQFVWOOXJXAH-UHFFFAOYSA-N
XLogP11.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(propan-2-yl)-3-(2-propan-2-ylphenyl)benzene;gold(1+);chloride
CID 90072599
1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
CID 54148188
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
1,2-bis(1-bromoethyl)-3-phenylbenzene
CID 175283947
1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene
CID 144670808
1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene
CID 173253873
1-phosphorosooxy-2,3-di(propan-2-yl)benzene
CID 141326845
1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
CID 141059308

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene?
The IUPAC name of 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene (CID 91401527) is 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene?
The canonical SMILES for 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene is CC(C)c1cccc(-c2ccc(-c3ccc(-c4cccc(C(C)C)c4C(C)C)cc3)cc2)c1C(C)C.
What is the InChIKey of 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene?
The InChIKey is DGEQFVWOOXJXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42/c1-23(2)31-11-9-13-33(35(31)25(5)6)29-19-15-27(16-20-29)28-17-21-30(22-18-28)34-14-10-12-32(24(3)4)36(34)26(7)8/h9-26H,1-8H3.
What are the key properties of 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene?
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene has a molecular weight of 474.73 g/mol, XLogP of 11.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene is sourced from PubChem (CID 91401527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).