1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole

C28H35N2P — CID 102083910

IUPAC1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole
SMILESCC1=C(C)C(C)(P2N(c3c(C)cccc3C)C=CN2c2c(C)cccc2C)C(C)=C1C
InChIInChI=1S/C28H35N2P/c1-18-12-10-13-19(2)26(18)29-16-17-30(27-20(3)14-11-15-21(27)4)31(29)28(9)24(7)22(5)23(6)25(28)8/h10-17H,1-9H3
InChIKeyUWJKCUWPYJQRMQ-UHFFFAOYSA-N
MW430.58 g/mol
LogP8.48
Rot. Bonds3

About 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole

1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole (PubChem CID 102083910) has the molecular formula C28H35N2P and a molecular weight of 430.58 g/mol. Its IUPAC name is 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole.

Molecular Properties

Compound Name1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole
PubChem CID102083910
Molecular FormulaC28H35N2P
Molecular Weight430.58 g/mol
Exact Mass430.25
IUPAC Name1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole
SMILESCC1=C(C)C(C)(P2N(c3c(C)cccc3C)C=CN2c2c(C)cccc2C)C(C)=C1C
InChIInChI=1S/C28H35N2P/c1-18-12-10-13-19(2)26(18)29-16-17-30(27-20(3)14-11-15-21(27)4)31(29)28(9)24(7)22(5)23(6)25(28)8/h10-17H,1-9H3
InChIKeyUWJKCUWPYJQRMQ-UHFFFAOYSA-N
XLogP8.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole
CID 118857309
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2-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborol-2-yl]-1,3-bis(2,6-dimethylphenyl)-1,3,2-diazaphosphole
CID 139163001
1,3-bis(2,6-dimethylphenyl)-2H-imidazole;silver
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CID 145026815
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CID 143992406
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CID 147973830
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CID 20660475
1,3-bis(2,6-dimethylphenyl)-1,3,2-benzodiazaborol-2-amine
CID 177454514
9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene
CID 150900181
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CID 164734136

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole?
The IUPAC name of 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole (CID 102083910) is 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole.
What is the SMILES notation for 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole?
The canonical SMILES for 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole is CC1=C(C)C(C)(P2N(c3c(C)cccc3C)C=CN2c2c(C)cccc2C)C(C)=C1C.
What is the InChIKey of 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole?
The InChIKey is UWJKCUWPYJQRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N2P/c1-18-12-10-13-19(2)26(18)29-16-17-30(27-20(3)14-11-15-21(27)4)31(29)28(9)24(7)22(5)23(6)25(28)8/h10-17H,1-9H3.
What are the key properties of 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole?
1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole has a molecular weight of 430.58 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole is sourced from PubChem (CID 102083910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).