CID 20677963

C98H46 — CID 20677963

IUPAC—
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20CC%21C%22C%23C%24CC%25C%26C1C1C%27C%28C%29C%30C%31C%32C%33C%34C%35C%36C2C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%21%20C%22%17C%23%18C%24%25C%26%19C1%20C%271C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%362C32C45C63C%282C%272C73C83C%262C%252C93C%103C%114C%125C%136C%147C%158C%17%16C%18%19C%208C17C%216C%225C%234C%2423
InChIInChI=1S/C98H46/c1-5-13-7-2-8-17-18-9-3-11-20-25-29-33-37-41-42-38-34-30-26-21-12-4-10-19-22-14-6(1)15-23-27-31-35-39-40-36-32-28-24-16(5)55-47(13)43(7,8)48(17)49(18)44(9,11)51(20)56(25)60(29)64(33)68(37)73(41)74(42)69(38)65(34)61(30)57(26)52(21)45(10,12)50(19)53(22)46(14,15)54(23)58(27)62(31)66(35)70(39)72(40)71(36)67(32)63(28)59(24,55)83-79(55)75(47,48)76(49,51)80(56,79)84(60,83)88(64)87(63,83)91(67)92(68,88)97(73)95(71,91)96(72)94(70)90(66)86(62)82(58)78(53,54)77(50,52)81(57,82)85(61,86)89(65,90)93(69,94)98(74,96)97/h5-42H,1-4H2
InChIKeyASNDNFSDJXNGJF-UHFFFAOYSA-N
MW1223.45 g/mol
LogP7.37
Rot. Bonds

About CID 20677963

CID 20677963 (PubChem CID 20677963) has the molecular formula C98H46 and a molecular weight of 1223.45 g/mol.

Molecular Properties

Compound NameCID 20677963
PubChem CID20677963
Molecular FormulaC98H46
Molecular Weight1223.45 g/mol
Exact Mass1222.36
IUPAC Name—
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20CC%21C%22C%23C%24CC%25C%26C1C1C%27C%28C%29C%30C%31C%32C%33C%34C%35C%36C2C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%21%20C%22%17C%23%18C%24%25C%26%19C1%20C%271C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%362C32C45C63C%282C%272C73C83C%262C%252C93C%103C%114C%125C%136C%147C%158C%17%16C%18%19C%208C17C%216C%225C%234C%2423
InChIInChI=1S/C98H46/c1-5-13-7-2-8-17-18-9-3-11-20-25-29-33-37-41-42-38-34-30-26-21-12-4-10-19-22-14-6(1)15-23-27-31-35-39-40-36-32-28-24-16(5)55-47(13)43(7,8)48(17)49(18)44(9,11)51(20)56(25)60(29)64(33)68(37)73(41)74(42)69(38)65(34)61(30)57(26)52(21)45(10,12)50(19)53(22)46(14,15)54(23)58(27)62(31)66(35)70(39)72(40)71(36)67(32)63(28)59(24,55)83-79(55)75(47,48)76(49,51)80(56,79)84(60,83)88(64)87(63,83)91(67)92(68,88)97(73)95(71,91)96(72)94(70)90(66)86(62)82(58)78(53,54)77(50,52)81(57,82)85(61,86)89(65,90)93(69,94)98(74,96)97/h5-42H,1-4H2
InChIKeyASNDNFSDJXNGJF-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.45
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20677963?
The IUPAC name of CID 20677963 (CID 20677963) is not available.
What is the SMILES notation for CID 20677963?
The canonical SMILES for CID 20677963 is C1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20CC%21C%22C%23C%24CC%25C%26C1C1C%27C%28C%29C%30C%31C%32C%33C%34C%35C%36C2C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%21%20C%22%17C%23%18C%24%25C%26%19C1%20C%271C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%362C32C45C63C%282C%272C73C83C%262C%252C93C%103C%114C%125C%136C%147C%158C%17%16C%18%19C%208C17C%216C%225C%234C%2423.
What is the InChIKey of CID 20677963?
The InChIKey is ASNDNFSDJXNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H46/c1-5-13-7-2-8-17-18-9-3-11-20-25-29-33-37-41-42-38-34-30-26-21-12-4-10-19-22-14-6(1)15-23-27-31-35-39-40-36-32-28-24-16(5)55-47(13)43(7,8)48(17)49(18)44(9,11)51(20)56(25)60(29)64(33)68(37)73(41)74(42)69(38)65(34)61(30)57(26)52(21)45(10,12)50(19)53(22)46(14,15)54(23)58(27)62(31)66(35)70(39)72(40)71(36)67(32)63(28)59(24,55)83-79(55)75(47,48)76(49,51)80(56,79)84(60,83)88(64)87(63,83)91(67)92(68,88)97(73)95(71,91)96(72)94(70)90(66)86(62)82(58)78(53,54)77(50,52)81(57,82)85(61,86)89(65,90)93(69,94)98(74,96)97/h5-42H,1-4H2.
What are the key properties of CID 20677963?
CID 20677963 has a molecular weight of 1223.45 g/mol, XLogP of 7.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20677963 is sourced from PubChem (CID 20677963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).