CID 139248972

C24H25Cl2Sn — CID 139248972

IUPAC—
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Sn](Cl)Cl)c(C)c1
InChIInChI=1S/C24H25.2ClH.Sn/c1-15-10-17(3)23(18(4)11-15)21-8-7-9-22(14-21)24-19(5)12-16(2)13-20(24)6;;;/h7-13H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyZMVVHUWKBKHANF-UHFFFAOYSA-L
MW503.08 g/mol
LogP7.04
Rot. Bonds3

About CID 139248972

CID 139248972 (PubChem CID 139248972) has the molecular formula C24H25Cl2Sn and a molecular weight of 503.08 g/mol.

Molecular Properties

Compound NameCID 139248972
PubChem CID139248972
Molecular FormulaC24H25Cl2Sn
Molecular Weight503.08 g/mol
Exact Mass503.04
IUPAC Name—
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Sn](Cl)Cl)c(C)c1
InChIInChI=1S/C24H25.2ClH.Sn/c1-15-10-17(3)23(18(4)11-15)21-8-7-9-22(14-21)24-19(5)12-16(2)13-20(24)6;;;/h7-13H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyZMVVHUWKBKHANF-UHFFFAOYSA-L
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.08
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 137158148
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
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2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
CID 6394929
CID 6394929
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
2-[2-[2,3-bis(2,4,6-trimethylphenyl)phenoxy]-6-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 151096565
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892
lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide
CID 101398380

Frequently Asked Questions

What is the IUPAC name of CID 139248972?
The IUPAC name of CID 139248972 (CID 139248972) is not available.
What is the SMILES notation for CID 139248972?
The canonical SMILES for CID 139248972 is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Sn](Cl)Cl)c(C)c1.
What is the InChIKey of CID 139248972?
The InChIKey is ZMVVHUWKBKHANF-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H25.2ClH.Sn/c1-15-10-17(3)23(18(4)11-15)21-8-7-9-22(14-21)24-19(5)12-16(2)13-20(24)6;;;/h7-13H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 139248972?
CID 139248972 has a molecular weight of 503.08 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139248972 is sourced from PubChem (CID 139248972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).