(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane

C31H24NOP — CID 118467175

IUPAC(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
SMILESCOc1cccc(-n2c3ccccc3c3ccccc32)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24NOP/c1-33-30-22-12-21-29(32-27-19-10-8-17-25(27)26-18-9-11-20-28(26)32)31(30)34(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-22H,1H3
InChIKeyQOCXGKNPXYEHRJ-UHFFFAOYSA-N
MW457.51 g/mol
LogP6.55
Rot. Bonds5

About (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane

(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane (PubChem CID 118467175) has the molecular formula C31H24NOP and a molecular weight of 457.51 g/mol. Its IUPAC name is (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane.

Molecular Properties

Compound Name(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
PubChem CID118467175
Molecular FormulaC31H24NOP
Molecular Weight457.51 g/mol
Exact Mass457.16
IUPAC Name(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
SMILESCOc1cccc(-n2c3ccccc3c3ccccc32)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24NOP/c1-33-30-22-12-21-29(32-27-19-10-8-17-25(27)26-18-9-11-20-28(26)32)31(30)34(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-22H,1H3
InChIKeyQOCXGKNPXYEHRJ-UHFFFAOYSA-N
XLogP6.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 56.55
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

(2-carbazol-9-yl-6-methoxyphenyl)-methyl-phosphanylphosphane
CID 129309761
(2-carbazol-9-yl-6-methoxyphenyl)-methylphosphane
CID 129309635
9-(2,6-dimethoxyphenyl)carbazole
CID 58050238
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
CID 12977583
ethane;9-(5-fluoro-2-methoxyphenyl)carbazole
CID 144565346
4-(2-methoxyphenyl)thieno[3,2-b]indole
CID 164669908
[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane
CID 25145860
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
9-(4-methoxy-3-methylphenyl)carbazole
CID 123263488
(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
CID 12979651
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane
CID 118474937

Frequently Asked Questions

What is the IUPAC name of (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane?
The IUPAC name of (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane (CID 118467175) is (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane.
What is the SMILES notation for (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane?
The canonical SMILES for (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane is COc1cccc(-n2c3ccccc3c3ccccc32)c1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane?
The InChIKey is QOCXGKNPXYEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24NOP/c1-33-30-22-12-21-29(32-27-19-10-8-17-25(27)26-18-9-11-20-28(26)32)31(30)34(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-22H,1H3.
What are the key properties of (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane?
(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane has a molecular weight of 457.51 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane is sourced from PubChem (CID 118467175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).