4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C18H25N2P+2 — CID 170629076

IUPAC4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)(C)c1cc[n+]2[pH][n+]3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C18H25N2P/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(18(4,5)6)8-10-20(16)21-19/h7-12,21H,1-6H3/q+2
InChIKeyBVZADJOHOAIQSH-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.79
Rot. Bonds

About 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 170629076) has the molecular formula C18H25N2P+2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID170629076
Molecular FormulaC18H25N2P+2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)(C)c1cc[n+]2[pH][n+]3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C18H25N2P/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(18(4,5)6)8-10-20(16)21-19/h7-12,21H,1-6H3/q+2
InChIKeyBVZADJOHOAIQSH-UHFFFAOYSA-N
XLogP3.79
TPSA8.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 154175105
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CID 170133477
alumane;1,3-ditert-butylbenzene
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5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium
CID 153449231
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
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4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
4-tert-butylpyridin-1-ium-1-amine perchlorate
CID 71369331
4-tert-butyl-1-[[4-[(4-tert-butylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium
CID 53320732
4-tert-butyl-1-[11-(4-tert-butylpyridin-1-ium-1-yl)undecyl]pyridin-1-ium dibromide
CID 53320727
4-tert-butyl-1-[2-(4-tert-butylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium ditetrafluoroborate
CID 11612532

Frequently Asked Questions

What is the IUPAC name of 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 170629076) is 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC(C)(C)c1cc[n+]2[pH][n+]3ccc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BVZADJOHOAIQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2P/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(18(4,5)6)8-10-20(16)21-19/h7-12,21H,1-6H3/q+2.
What are the key properties of 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 300.39 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-ditert-butyl-7,9-diazonia-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 170629076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).