1,2,3,4-tetraphenyl-5,6-dipropylbenzene

C36H34 — CID 102026610

IUPAC1,2,3,4-tetraphenyl-5,6-dipropylbenzene
SMILESCCCc1c(CCC)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C36H34/c1-3-17-31-32(18-4-2)34(28-21-11-6-12-22-28)36(30-25-15-8-16-26-30)35(29-23-13-7-14-24-29)33(31)27-19-9-5-10-20-27/h5-16,19-26H,3-4,17-18H2,1-2H3
InChIKeyUWUXXBQZTCOXPV-UHFFFAOYSA-N
MW466.67 g/mol
LogP10.26
Rot. Bonds8

About 1,2,3,4-tetraphenyl-5,6-dipropylbenzene

1,2,3,4-tetraphenyl-5,6-dipropylbenzene (PubChem CID 102026610) has the molecular formula C36H34 and a molecular weight of 466.67 g/mol. Its IUPAC name is 1,2,3,4-tetraphenyl-5,6-dipropylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetraphenyl-5,6-dipropylbenzene
PubChem CID102026610
Molecular FormulaC36H34
Molecular Weight466.67 g/mol
Exact Mass466.27
IUPAC Name1,2,3,4-tetraphenyl-5,6-dipropylbenzene
SMILESCCCc1c(CCC)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C36H34/c1-3-17-31-32(18-4-2)34(28-21-11-6-12-22-28)36(30-25-15-8-16-26-30)35(29-23-13-7-14-24-29)33(31)27-19-9-5-10-20-27/h5-16,19-26H,3-4,17-18H2,1-2H3
InChIKeyUWUXXBQZTCOXPV-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraphenyl-5,6-dipropylbenzene?
The IUPAC name of 1,2,3,4-tetraphenyl-5,6-dipropylbenzene (CID 102026610) is 1,2,3,4-tetraphenyl-5,6-dipropylbenzene.
What is the SMILES notation for 1,2,3,4-tetraphenyl-5,6-dipropylbenzene?
The canonical SMILES for 1,2,3,4-tetraphenyl-5,6-dipropylbenzene is CCCc1c(CCC)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2,3,4-tetraphenyl-5,6-dipropylbenzene?
The InChIKey is UWUXXBQZTCOXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34/c1-3-17-31-32(18-4-2)34(28-21-11-6-12-22-28)36(30-25-15-8-16-26-30)35(29-23-13-7-14-24-29)33(31)27-19-9-5-10-20-27/h5-16,19-26H,3-4,17-18H2,1-2H3.
What are the key properties of 1,2,3,4-tetraphenyl-5,6-dipropylbenzene?
1,2,3,4-tetraphenyl-5,6-dipropylbenzene has a molecular weight of 466.67 g/mol, XLogP of 10.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraphenyl-5,6-dipropylbenzene is sourced from PubChem (CID 102026610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).