CID 15486274

C39H48Ge — CID 15486274

IUPAC—
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ge]c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c1
InChIInChI=1S/C39H48Ge/c1-22(2)31-20-34(23(3)4)39(35(21-31)24(5)6)40-38-32(36-27(9)16-25(7)17-28(36)10)14-13-15-33(38)37-29(11)18-26(8)19-30(37)12/h13-24H,1-12H3
InChIKeySPCHESLTVJWTHS-UHFFFAOYSA-N
MW589.42 g/mol
LogP9.90
Rot. Bonds7

About CID 15486274

CID 15486274 (PubChem CID 15486274) has the molecular formula C39H48Ge and a molecular weight of 589.42 g/mol.

Molecular Properties

Compound NameCID 15486274
PubChem CID15486274
Molecular FormulaC39H48Ge
Molecular Weight589.42 g/mol
Exact Mass590.30
IUPAC Name—
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ge]c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c1
InChIInChI=1S/C39H48Ge/c1-22(2)31-20-34(23(3)4)39(35(21-31)24(5)6)40-38-32(36-27(9)16-25(7)17-28(36)10)14-13-15-33(38)37-29(11)18-26(8)19-30(37)12/h13-24H,1-12H3
InChIKeySPCHESLTVJWTHS-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.42
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 15486274?
The IUPAC name of CID 15486274 (CID 15486274) is not available.
What is the SMILES notation for CID 15486274?
The canonical SMILES for CID 15486274 is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ge]c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c1.
What is the InChIKey of CID 15486274?
The InChIKey is SPCHESLTVJWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48Ge/c1-22(2)31-20-34(23(3)4)39(35(21-31)24(5)6)40-38-32(36-27(9)16-25(7)17-28(36)10)14-13-15-33(38)37-29(11)18-26(8)19-30(37)12/h13-24H,1-12H3.
What are the key properties of CID 15486274?
CID 15486274 has a molecular weight of 589.42 g/mol, XLogP of 9.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15486274 is sourced from PubChem (CID 15486274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).