CID 101126253

C60H66N6O4 — CID 101126253

IUPAC—
SMILESCc1cc2cc(C)c1NC(=O)c1cccc(n1)C(=O)Nc1c(C)cc(cc1C)C1(CCCC(C)C1)c1cc(C)c(c(C)c1)NC(=O)c1cccc(n1)C(=O)Nc1c(C)cc(cc1C)C21CCCC(C)C1
InChIInChI=1S/C60H66N6O4/c1-33-15-13-21-59(31-33)43-23-35(3)51(36(4)24-43)63-55(67)47-17-11-19-49(61-47)57(69)65-53-39(7)27-45(28-40(53)8)60(22-14-16-34(2)32-60)46-29-41(9)54(42(10)30-46)66-58(70)50-20-12-18-48(62-50)56(68)64-52-37(5)25-44(59)26-38(52)6/h11-12,17-20,23-30,33-34H,13-16,21-22,31-32H2,1-10H3,(H,63,67)(H,64,68)(H,65,69)(H,66,70)
InChIKeyWRXCTDXSCQXKBV-UHFFFAOYSA-N
MW935.23 g/mol
LogP13.26
Rot. Bonds

About CID 101126253

CID 101126253 (PubChem CID 101126253) has the molecular formula C60H66N6O4 and a molecular weight of 935.23 g/mol.

Molecular Properties

Compound NameCID 101126253
PubChem CID101126253
Molecular FormulaC60H66N6O4
Molecular Weight935.23 g/mol
Exact Mass934.51
IUPAC Name—
SMILESCc1cc2cc(C)c1NC(=O)c1cccc(n1)C(=O)Nc1c(C)cc(cc1C)C1(CCCC(C)C1)c1cc(C)c(c(C)c1)NC(=O)c1cccc(n1)C(=O)Nc1c(C)cc(cc1C)C21CCCC(C)C1
InChIInChI=1S/C60H66N6O4/c1-33-15-13-21-59(31-33)43-23-35(3)51(36(4)24-43)63-55(67)47-17-11-19-49(61-47)57(69)65-53-39(7)27-45(28-40(53)8)60(22-14-16-34(2)32-60)46-29-41(9)54(42(10)30-46)66-58(70)50-20-12-18-48(62-50)56(68)64-52-37(5)25-44(59)26-38(52)6/h11-12,17-20,23-30,33-34H,13-16,21-22,31-32H2,1-10H3,(H,63,67)(H,64,68)(H,65,69)(H,66,70)
InChIKeyWRXCTDXSCQXKBV-UHFFFAOYSA-N
XLogP13.26
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.23
LogP ≤ 513.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 101126253?
The IUPAC name of CID 101126253 (CID 101126253) is not available.
What is the SMILES notation for CID 101126253?
The canonical SMILES for CID 101126253 is Cc1cc2cc(C)c1NC(=O)c1cccc(n1)C(=O)Nc1c(C)cc(cc1C)C1(CCCC(C)C1)c1cc(C)c(c(C)c1)NC(=O)c1cccc(n1)C(=O)Nc1c(C)cc(cc1C)C21CCCC(C)C1.
What is the InChIKey of CID 101126253?
The InChIKey is WRXCTDXSCQXKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H66N6O4/c1-33-15-13-21-59(31-33)43-23-35(3)51(36(4)24-43)63-55(67)47-17-11-19-49(61-47)57(69)65-53-39(7)27-45(28-40(53)8)60(22-14-16-34(2)32-60)46-29-41(9)54(42(10)30-46)66-58(70)50-20-12-18-48(62-50)56(68)64-52-37(5)25-44(59)26-38(52)6/h11-12,17-20,23-30,33-34H,13-16,21-22,31-32H2,1-10H3,(H,63,67)(H,64,68)(H,65,69)(H,66,70).
What are the key properties of CID 101126253?
CID 101126253 has a molecular weight of 935.23 g/mol, XLogP of 13.26, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101126253 is sourced from PubChem (CID 101126253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).