3-carbazol-9-yl-10-diphenylphosphorylphenoxazine

C36H25N2O2P — CID 140928514

IUPAC3-carbazol-9-yl-10-diphenylphosphorylphenoxazine
SMILESO=P(c1ccccc1)(c1ccccc1)N1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C36H25N2O2P/c39-41(27-13-3-1-4-14-27,28-15-5-2-6-16-28)38-33-21-11-12-22-35(33)40-36-25-26(23-24-34(36)38)37-31-19-9-7-17-29(31)30-18-8-10-20-32(30)37/h1-25H
InChIKeyMFVXRUOBRZGJJC-UHFFFAOYSA-N
MW548.58 g/mol
LogP8.96
Rot. Bonds4

About 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine

3-carbazol-9-yl-10-diphenylphosphorylphenoxazine (PubChem CID 140928514) has the molecular formula C36H25N2O2P and a molecular weight of 548.58 g/mol. Its IUPAC name is 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine.

Molecular Properties

Compound Name3-carbazol-9-yl-10-diphenylphosphorylphenoxazine
PubChem CID140928514
Molecular FormulaC36H25N2O2P
Molecular Weight548.58 g/mol
Exact Mass548.17
IUPAC Name3-carbazol-9-yl-10-diphenylphosphorylphenoxazine
SMILESO=P(c1ccccc1)(c1ccccc1)N1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C36H25N2O2P/c39-41(27-13-3-1-4-14-27,28-15-5-2-6-16-28)38-33-21-11-12-22-35(33)40-36-25-26(23-24-34(36)38)37-31-19-9-7-17-29(31)30-18-8-10-20-32(30)37/h1-25H
InChIKeyMFVXRUOBRZGJJC-UHFFFAOYSA-N
XLogP8.96
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.58
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-10-methylphenoxazine
CID 130351981
2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
CID 140928529
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
16-(4-diphenylphosphorylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 126655984
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
CID 118605227
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29-pentadecaen-22-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8(13),9,11,14,16,18,20,22,24,27,29-pentadecaen-10-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-5-yl)carbazole
CID 165082856
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine
CID 161223597

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine?
The IUPAC name of 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine (CID 140928514) is 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine.
What is the SMILES notation for 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine?
The canonical SMILES for 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine is O=P(c1ccccc1)(c1ccccc1)N1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine?
The InChIKey is MFVXRUOBRZGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N2O2P/c39-41(27-13-3-1-4-14-27,28-15-5-2-6-16-28)38-33-21-11-12-22-35(33)40-36-25-26(23-24-34(36)38)37-31-19-9-7-17-29(31)30-18-8-10-20-32(30)37/h1-25H.
What are the key properties of 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine?
3-carbazol-9-yl-10-diphenylphosphorylphenoxazine has a molecular weight of 548.58 g/mol, XLogP of 8.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-10-diphenylphosphorylphenoxazine is sourced from PubChem (CID 140928514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).