CID 177395241

C28H45Sn+ — CID 177395241

IUPAC—
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Sn+])C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C28H45.Sn/c1-9-25(10-2)19-26(11-3,12-4)22-18-24-23(17-21(22)25)27(13-5,14-6)20-28(24,15-7)16-8;/h17H,9-16,19-20H2,1-8H3;/q;+1
InChIKeyHBRDIOKHDHWJIM-UHFFFAOYSA-N
MW500.38 g/mol
LogP7.52
Rot. Bonds8

About CID 177395241

CID 177395241 (PubChem CID 177395241) has the molecular formula C28H45Sn+ and a molecular weight of 500.38 g/mol.

Molecular Properties

Compound NameCID 177395241
PubChem CID177395241
Molecular FormulaC28H45Sn+
Molecular Weight500.38 g/mol
Exact Mass501.25
IUPAC Name—
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Sn+])C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C28H45.Sn/c1-9-25(10-2)19-26(11-3,12-4)22-18-24-23(17-21(22)25)27(13-5,14-6)20-28(24,15-7)16-8;/h17H,9-16,19-20H2,1-8H3;/q;+1
InChIKeyHBRDIOKHDHWJIM-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.38
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene
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1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-4-thiolate
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(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane
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dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane
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(E)-(9,9-dimethylfluoren-2-yl)-[(9,9-dimethylfluoren-2-yl)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)germylidene]-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)germane
CID 177494089
dilithium;1,1,3,3,5,5,7,7-octaethyl-4,6-dihydro-2H-s-indacen-4-ide;oxolane;bromide
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2,4-bis[4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diolate
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CID 136861252

Frequently Asked Questions

What is the IUPAC name of CID 177395241?
The IUPAC name of CID 177395241 (CID 177395241) is not available.
What is the SMILES notation for CID 177395241?
The canonical SMILES for CID 177395241 is CCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Sn+])C(CC)(CC)CC1(CC)CC.
What is the InChIKey of CID 177395241?
The InChIKey is HBRDIOKHDHWJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45.Sn/c1-9-25(10-2)19-26(11-3,12-4)22-18-24-23(17-21(22)25)27(13-5,14-6)20-28(24,15-7)16-8;/h17H,9-16,19-20H2,1-8H3;/q;+1.
What are the key properties of CID 177395241?
CID 177395241 has a molecular weight of 500.38 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177395241 is sourced from PubChem (CID 177395241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).