14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C31H24Ge — CID 171436500

IUPAC14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESCc1ccc([Ge]2(c3ccccc3)c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H24Ge/c1-23-19-21-25(22-20-23)32(24-11-3-2-4-12-24)30-17-9-7-15-28(30)26-13-5-6-14-27(26)29-16-8-10-18-31(29)32/h2-22H,1H3
InChIKeyFHBVWAPZCQDRFC-UHFFFAOYSA-N
MW469.14 g/mol
LogP5.02
Rot. Bonds2

About 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 171436500) has the molecular formula C31H24Ge and a molecular weight of 469.14 g/mol. Its IUPAC name is 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID171436500
Molecular FormulaC31H24Ge
Molecular Weight469.14 g/mol
Exact Mass470.11
IUPAC Name14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESCc1ccc([Ge]2(c3ccccc3)c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H24Ge/c1-23-19-21-25(22-20-23)32(24-11-3-2-4-12-24)30-17-9-7-15-28(30)26-13-5-6-14-27(26)29-16-8-10-18-31(29)32/h2-22H,1H3
InChIKeyFHBVWAPZCQDRFC-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.14
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 171436500) is 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is Cc1ccc([Ge]2(c3ccccc3)c3ccccc3-c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is FHBVWAPZCQDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Ge/c1-23-19-21-25(22-20-23)32(24-11-3-2-4-12-24)30-17-9-7-15-28(30)26-13-5-6-14-27(26)29-16-8-10-18-31(29)32/h2-22H,1H3.
What are the key properties of 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 469.14 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-methylphenyl)-14-phenyl-14-germatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 171436500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).