1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane

C48H37P — CID 158387148

IUPAC1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane
SMILESPc1ccccc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C42H30.C6H7P/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;7-6-4-2-1-3-5-6/h1-30H;1-5H,7H2
InChIKeyGWMSMCZHCYFWBG-UHFFFAOYSA-N
MW644.80 g/mol
LogP12.88
Rot. Bonds6

About 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane

1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane (PubChem CID 158387148) has the molecular formula C48H37P and a molecular weight of 644.80 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane
PubChem CID158387148
Molecular FormulaC48H37P
Molecular Weight644.80 g/mol
Exact Mass644.26
IUPAC Name1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane
SMILESPc1ccccc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C42H30.C6H7P/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;7-6-4-2-1-3-5-6/h1-30H;1-5H,7H2
InChIKeyGWMSMCZHCYFWBG-UHFFFAOYSA-N
XLogP12.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phenylphosphane
CID 160937143
CID 159013502
CID 159013502
phenylphosphane;hydrochloride
CID 172838104
palladium(2+);phenylphosphane
CID 18006167
nickel;phenylphosphane;hydrochloride
CID 88505653
disodium;hydride;phenylphosphane
CID 173187531
molecular hydrogen;phenylphosphane
CID 174185576
ethane;phenylphosphane;phosphane
CID 160653411
dichloropalladium;phenylphosphane
CID 87787995
carbonic acid;phenylphosphane
CID 173309106
1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane
CID 88636119
dichlororuthenium;phenylphosphane
CID 88728124

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane?
The IUPAC name of 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane (CID 158387148) is 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane.
What is the SMILES notation for 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane?
The canonical SMILES for 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane is Pc1ccccc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane?
The InChIKey is GWMSMCZHCYFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30.C6H7P/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;7-6-4-2-1-3-5-6/h1-30H;1-5H,7H2.
What are the key properties of 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane?
1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane has a molecular weight of 644.80 g/mol, XLogP of 12.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane is sourced from PubChem (CID 158387148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).