CID 71560960

C27H38AuClN2 — CID 71560960

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)CC1.Cl[Au]
InChIInChI=1S/C27H38N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-14,18-21H,15-16H2,1-8H3;;1H/q;+1;/p-1
InChIKeyKBTULXWTYFHSDZ-UHFFFAOYSA-M
MW623.04 g/mol
LogP8.19
Rot. Bonds6

About CID 71560960

CID 71560960 (PubChem CID 71560960) has the molecular formula C27H38AuClN2 and a molecular weight of 623.04 g/mol.

Molecular Properties

Compound NameCID 71560960
PubChem CID71560960
Molecular FormulaC27H38AuClN2
Molecular Weight623.04 g/mol
Exact Mass622.24
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)CC1.Cl[Au]
InChIInChI=1S/C27H38N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-14,18-21H,15-16H2,1-8H3;;1H/q;+1;/p-1
InChIKeyKBTULXWTYFHSDZ-UHFFFAOYSA-M
XLogP8.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.04
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 71560960?
The IUPAC name of CID 71560960 (CID 71560960) is not available.
What is the SMILES notation for CID 71560960?
The canonical SMILES for CID 71560960 is CC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)CC1.Cl[Au].
What is the InChIKey of CID 71560960?
The InChIKey is KBTULXWTYFHSDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H38N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-14,18-21H,15-16H2,1-8H3;;1H/q;+1;/p-1.
What are the key properties of CID 71560960?
CID 71560960 has a molecular weight of 623.04 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71560960 is sourced from PubChem (CID 71560960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).