CID 20668068

C44H28 — CID 20668068

IUPAC—
SMILESC1C2CC3C4C5C6C7CC8C9C%10C%11CC%12C%13C%14C%15C%16C1C1C%17C%18C2C32C%183C%17%18C1%16C%151C%14%15C%13%14C%11%12C%10%11C9%10C87C67C56C42C32C%181C%151C%11%14C%107C621
InChIInChI=1S/C44H28/c1-5-2-7-17-23-18-10-3-8-15-16-9-4-11-19-24-22-14-6(1)13-21-20-12(5)27(7)33(17)37(23)31(18)25(8,10)29(15)30(16)26(9,11)32(19)38(24)36(22)28(13,14)35(21)34(20,27)41(33)42(35,36)44(38)40(30,32)39(29,31)43(37,41)44/h5-24H,1-4H2
InChIKeyZAACEHGULVNHEX-UHFFFAOYSA-N
MW556.71 g/mol
LogP4.02
Rot. Bonds

About CID 20668068

CID 20668068 (PubChem CID 20668068) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol.

Molecular Properties

Compound NameCID 20668068
PubChem CID20668068
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name—
SMILESC1C2CC3C4C5C6C7CC8C9C%10C%11CC%12C%13C%14C%15C%16C1C1C%17C%18C2C32C%183C%17%18C1%16C%151C%14%15C%13%14C%11%12C%10%11C9%10C87C67C56C42C32C%181C%151C%11%14C%107C621
InChIInChI=1S/C44H28/c1-5-2-7-17-23-18-10-3-8-15-16-9-4-11-19-24-22-14-6(1)13-21-20-12(5)27(7)33(17)37(23)31(18)25(8,10)29(15)30(16)26(9,11)32(19)38(24)36(22)28(13,14)35(21)34(20,27)41(33)42(35,36)44(38)40(30,32)39(29,31)43(37,41)44/h5-24H,1-4H2
InChIKeyZAACEHGULVNHEX-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.71
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20668068?
The IUPAC name of CID 20668068 (CID 20668068) is not available.
What is the SMILES notation for CID 20668068?
The canonical SMILES for CID 20668068 is C1C2CC3C4C5C6C7CC8C9C%10C%11CC%12C%13C%14C%15C%16C1C1C%17C%18C2C32C%183C%17%18C1%16C%151C%14%15C%13%14C%11%12C%10%11C9%10C87C67C56C42C32C%181C%151C%11%14C%107C621.
What is the InChIKey of CID 20668068?
The InChIKey is ZAACEHGULVNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-5-2-7-17-23-18-10-3-8-15-16-9-4-11-19-24-22-14-6(1)13-21-20-12(5)27(7)33(17)37(23)31(18)25(8,10)29(15)30(16)26(9,11)32(19)38(24)36(22)28(13,14)35(21)34(20,27)41(33)42(35,36)44(38)40(30,32)39(29,31)43(37,41)44/h5-24H,1-4H2.
What are the key properties of CID 20668068?
CID 20668068 has a molecular weight of 556.71 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20668068 is sourced from PubChem (CID 20668068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).