CID 174243814

C67H34 — CID 174243814

IUPAC—
SMILESC1C2C3C4C5C6C7C8CC9C%10C%11C%12C%13C%14CC%15C%16C%17C%18C%19C%20C%21CC1C%211C%21C%22C%23C%24C2C32C43C54C65C76C98C%107C%118C%129C%13%10C%14%15C%16%11C%17%12C%18%13C%19%14C%201C%211C%22%15C%23%16C%242C32C43C54C76C85C96C%10%11C%127C%138C%141C%151C%162C32C54C67C812
InChIInChI=1S/C67H34/c1-5-2-7-14-21-27-25-18-11-4-9-16-23-22-15-8-3-10-17-24-26-19-12-6(1)13-20-28-29-30-31(5,7)35(14)42(21)49(27)46(25)39(18)33(9,11)37(16)44(23)43(22)36(15)32(8,10)38(17)45(24)47(26)40(19)34(12,13)41(20)48(28)50(29)51(30,35)55(42)62(49)59(46)53(37,39)57(44)56(43)52(36,38)58(45)60(47)54(40,41)61(48)63(50,55)67(62)65(57,59)64(56,58)66(60,61)67/h5-30H,1-4H2
InChIKeyDRRKRDIJVBKZSC-UHFFFAOYSA-N
MW839.01 g/mol
LogP4.76
Rot. Bonds

About CID 174243814

CID 174243814 (PubChem CID 174243814) has the molecular formula C67H34 and a molecular weight of 839.01 g/mol.

Molecular Properties

Compound NameCID 174243814
PubChem CID174243814
Molecular FormulaC67H34
Molecular Weight839.01 g/mol
Exact Mass838.27
IUPAC Name—
SMILESC1C2C3C4C5C6C7C8CC9C%10C%11C%12C%13C%14CC%15C%16C%17C%18C%19C%20C%21CC1C%211C%21C%22C%23C%24C2C32C43C54C65C76C98C%107C%118C%129C%13%10C%14%15C%16%11C%17%12C%18%13C%19%14C%201C%211C%22%15C%23%16C%242C32C43C54C76C85C96C%10%11C%127C%138C%141C%151C%162C32C54C67C812
InChIInChI=1S/C67H34/c1-5-2-7-14-21-27-25-18-11-4-9-16-23-22-15-8-3-10-17-24-26-19-12-6(1)13-20-28-29-30-31(5,7)35(14)42(21)49(27)46(25)39(18)33(9,11)37(16)44(23)43(22)36(15)32(8,10)38(17)45(24)47(26)40(19)34(12,13)41(20)48(28)50(29)51(30,35)55(42)62(49)59(46)53(37,39)57(44)56(43)52(36,38)58(45)60(47)54(40,41)61(48)63(50,55)67(62)65(57,59)64(56,58)66(60,61)67/h5-30H,1-4H2
InChIKeyDRRKRDIJVBKZSC-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500839.01
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 174243814?
The IUPAC name of CID 174243814 (CID 174243814) is not available.
What is the SMILES notation for CID 174243814?
The canonical SMILES for CID 174243814 is C1C2C3C4C5C6C7C8CC9C%10C%11C%12C%13C%14CC%15C%16C%17C%18C%19C%20C%21CC1C%211C%21C%22C%23C%24C2C32C43C54C65C76C98C%107C%118C%129C%13%10C%14%15C%16%11C%17%12C%18%13C%19%14C%201C%211C%22%15C%23%16C%242C32C43C54C76C85C96C%10%11C%127C%138C%141C%151C%162C32C54C67C812.
What is the InChIKey of CID 174243814?
The InChIKey is DRRKRDIJVBKZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H34/c1-5-2-7-14-21-27-25-18-11-4-9-16-23-22-15-8-3-10-17-24-26-19-12-6(1)13-20-28-29-30-31(5,7)35(14)42(21)49(27)46(25)39(18)33(9,11)37(16)44(23)43(22)36(15)32(8,10)38(17)45(24)47(26)40(19)34(12,13)41(20)48(28)50(29)51(30,35)55(42)62(49)59(46)53(37,39)57(44)56(43)52(36,38)58(45)60(47)54(40,41)61(48)63(50,55)67(62)65(57,59)64(56,58)66(60,61)67/h5-30H,1-4H2.
What are the key properties of CID 174243814?
CID 174243814 has a molecular weight of 839.01 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174243814 is sourced from PubChem (CID 174243814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).