CID 20667992

C63H38 — CID 20667992

IUPAC—
SMILESC1C2C3C4C5CC6C7C8CC9C%10C%11C%12C%13C%14C%15C%16C%17C%18CC%19C%20C%21CC%22C%23C%24C%25C1C1C%26C2C2%27C3%28C43C65C74C89C%105C%116C%127C%138C%149C%15%10C%16%11C%17%12C%19%18C%20%13C%21%22C%23%14C%24%15C%25%16C1%17C%262C8(C%277C%286C435)C%179C%16%10C%15%11C%13%14%12
InChIInChI=1S/C63H38/c1-6-16-22-12-2-8-20-10-4-14-24-28-30-33-32-31-29-25-15-5-11-21-9-3-13-23-27-19-7(1)18-26-17(6)45-44(16)40(22)34(8,12)38(20)36(10,14)42(24)49(28)52(30)55(33)54(32)53(31)50(29)43(25)37(11,15)39(21)35(9,13)41(23)48(27)46(19)47(18)51(26,45)63(55,60(45,52)58(44,49)56(38,40)42)62(47,54)61(46,53)59(48,50)57(39,41)43/h6-33H,1-5H2
InChIKeyPETJFKKFVGVKPI-UHFFFAOYSA-N
MW795.00 g/mol
LogP5.39
Rot. Bonds

About CID 20667992

CID 20667992 (PubChem CID 20667992) has the molecular formula C63H38 and a molecular weight of 795.00 g/mol.

Molecular Properties

Compound NameCID 20667992
PubChem CID20667992
Molecular FormulaC63H38
Molecular Weight795.00 g/mol
Exact Mass794.30
IUPAC Name—
SMILESC1C2C3C4C5CC6C7C8CC9C%10C%11C%12C%13C%14C%15C%16C%17C%18CC%19C%20C%21CC%22C%23C%24C%25C1C1C%26C2C2%27C3%28C43C65C74C89C%105C%116C%127C%138C%149C%15%10C%16%11C%17%12C%19%18C%20%13C%21%22C%23%14C%24%15C%25%16C1%17C%262C8(C%277C%286C435)C%179C%16%10C%15%11C%13%14%12
InChIInChI=1S/C63H38/c1-6-16-22-12-2-8-20-10-4-14-24-28-30-33-32-31-29-25-15-5-11-21-9-3-13-23-27-19-7(1)18-26-17(6)45-44(16)40(22)34(8,12)38(20)36(10,14)42(24)49(28)52(30)55(33)54(32)53(31)50(29)43(25)37(11,15)39(21)35(9,13)41(23)48(27)46(19)47(18)51(26,45)63(55,60(45,52)58(44,49)56(38,40)42)62(47,54)61(46,53)59(48,50)57(39,41)43/h6-33H,1-5H2
InChIKeyPETJFKKFVGVKPI-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20667992?
The IUPAC name of CID 20667992 (CID 20667992) is not available.
What is the SMILES notation for CID 20667992?
The canonical SMILES for CID 20667992 is C1C2C3C4C5CC6C7C8CC9C%10C%11C%12C%13C%14C%15C%16C%17C%18CC%19C%20C%21CC%22C%23C%24C%25C1C1C%26C2C2%27C3%28C43C65C74C89C%105C%116C%127C%138C%149C%15%10C%16%11C%17%12C%19%18C%20%13C%21%22C%23%14C%24%15C%25%16C1%17C%262C8(C%277C%286C435)C%179C%16%10C%15%11C%13%14%12.
What is the InChIKey of CID 20667992?
The InChIKey is PETJFKKFVGVKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38/c1-6-16-22-12-2-8-20-10-4-14-24-28-30-33-32-31-29-25-15-5-11-21-9-3-13-23-27-19-7(1)18-26-17(6)45-44(16)40(22)34(8,12)38(20)36(10,14)42(24)49(28)52(30)55(33)54(32)53(31)50(29)43(25)37(11,15)39(21)35(9,13)41(23)48(27)46(19)47(18)51(26,45)63(55,60(45,52)58(44,49)56(38,40)42)62(47,54)61(46,53)59(48,50)57(39,41)43/h6-33H,1-5H2.
What are the key properties of CID 20667992?
CID 20667992 has a molecular weight of 795.00 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20667992 is sourced from PubChem (CID 20667992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).