1,2-diethyl-3,4,5,6-tetraphenylbenzene

C34H30 — CID 58012801

IUPAC1,2-diethyl-3,4,5,6-tetraphenylbenzene
SMILESCCc1c(CC)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H30/c1-3-29-30(4-2)32(26-19-11-6-12-20-26)34(28-23-15-8-16-24-28)33(27-21-13-7-14-22-27)31(29)25-17-9-5-10-18-25/h5-24H,3-4H2,1-2H3
InChIKeyKEFTXZXMQLWFND-UHFFFAOYSA-N
MW438.61 g/mol
LogP9.48
Rot. Bonds6

About 1,2-diethyl-3,4,5,6-tetraphenylbenzene

1,2-diethyl-3,4,5,6-tetraphenylbenzene (PubChem CID 58012801) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 1,2-diethyl-3,4,5,6-tetraphenylbenzene.

Molecular Properties

Compound Name1,2-diethyl-3,4,5,6-tetraphenylbenzene
PubChem CID58012801
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name1,2-diethyl-3,4,5,6-tetraphenylbenzene
SMILESCCc1c(CC)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H30/c1-3-29-30(4-2)32(26-19-11-6-12-20-26)34(28-23-15-8-16-24-28)33(27-21-13-7-14-22-27)31(29)25-17-9-5-10-18-25/h5-24H,3-4H2,1-2H3
InChIKeyKEFTXZXMQLWFND-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3,4,5,6-tetraphenylbenzene?
The IUPAC name of 1,2-diethyl-3,4,5,6-tetraphenylbenzene (CID 58012801) is 1,2-diethyl-3,4,5,6-tetraphenylbenzene.
What is the SMILES notation for 1,2-diethyl-3,4,5,6-tetraphenylbenzene?
The canonical SMILES for 1,2-diethyl-3,4,5,6-tetraphenylbenzene is CCc1c(CC)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2-diethyl-3,4,5,6-tetraphenylbenzene?
The InChIKey is KEFTXZXMQLWFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-3-29-30(4-2)32(26-19-11-6-12-20-26)34(28-23-15-8-16-24-28)33(27-21-13-7-14-22-27)31(29)25-17-9-5-10-18-25/h5-24H,3-4H2,1-2H3.
What are the key properties of 1,2-diethyl-3,4,5,6-tetraphenylbenzene?
1,2-diethyl-3,4,5,6-tetraphenylbenzene has a molecular weight of 438.61 g/mol, XLogP of 9.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3,4,5,6-tetraphenylbenzene is sourced from PubChem (CID 58012801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).