methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene

C67H52 — CID 161142859

IUPACmethane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
SMILESC.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C36H26.C30H22.CH4/c1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30)36(31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29;1-5-13-23(14-6-1)27-21-29(25-17-9-3-10-18-25)30(26-19-11-4-12-20-26)22-28(27)24-15-7-2-8-16-24;/h1-26H;1-22H;1H4
InChIKeyUNRDJKCHMPBMJW-UHFFFAOYSA-N
MW857.15 g/mol
LogP19.01
Rot. Bonds9

About methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene

methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene (PubChem CID 161142859) has the molecular formula C67H52 and a molecular weight of 857.15 g/mol. Its IUPAC name is methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene.

Molecular Properties

Compound Namemethane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
PubChem CID161142859
Molecular FormulaC67H52
Molecular Weight857.15 g/mol
Exact Mass856.41
IUPAC Namemethane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
SMILESC.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C36H26.C30H22.CH4/c1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30)36(31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29;1-5-13-23(14-6-1)27-21-29(25-17-9-3-10-18-25)30(26-19-11-4-12-20-26)22-28(27)24-15-7-2-8-16-24;/h1-26H;1-22H;1H4
InChIKeyUNRDJKCHMPBMJW-UHFFFAOYSA-N
XLogP19.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.15
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene?
The IUPAC name of methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene (CID 161142859) is methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene.
What is the SMILES notation for methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene?
The canonical SMILES for methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene is C.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene?
The InChIKey is UNRDJKCHMPBMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26.C30H22.CH4/c1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30)36(31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29;1-5-13-23(14-6-1)27-21-29(25-17-9-3-10-18-25)30(26-19-11-4-12-20-26)22-28(27)24-15-7-2-8-16-24;/h1-26H;1-22H;1H4.
What are the key properties of methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene?
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene has a molecular weight of 857.15 g/mol, XLogP of 19.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene is sourced from PubChem (CID 161142859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).