7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide

C32H21OP — CID 101475124

IUPAC7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide
SMILESO=P1(c2ccccc2)C(c2ccccc2)=C2C(=C1c1ccccc1)c1cccc3cccc2c13
InChIInChI=1S/C32H21OP/c33-34(25-18-8-3-9-19-25)31(23-12-4-1-5-13-23)29-26-20-10-16-22-17-11-21-27(28(22)26)30(29)32(34)24-14-6-2-7-15-24/h1-21H
InChIKeyWMJFWVKUODBBQE-UHFFFAOYSA-N
MW452.49 g/mol
LogP8.29
Rot. Bonds3

About 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide

7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide (PubChem CID 101475124) has the molecular formula C32H21OP and a molecular weight of 452.49 g/mol. Its IUPAC name is 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide.

Molecular Properties

Compound Name7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide
PubChem CID101475124
Molecular FormulaC32H21OP
Molecular Weight452.49 g/mol
Exact Mass452.13
IUPAC Name7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide
SMILESO=P1(c2ccccc2)C(c2ccccc2)=C2C(=C1c1ccccc1)c1cccc3cccc2c13
InChIInChI=1S/C32H21OP/c33-34(25-18-8-3-9-19-25)31(23-12-4-1-5-13-23)29-26-20-10-16-22-17-11-21-27(28(22)26)30(29)32(34)24-14-6-2-7-15-24/h1-21H
InChIKeyWMJFWVKUODBBQE-UHFFFAOYSA-N
XLogP8.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
CID 123306043
fluoranthene
CID 139203734
carbon dioxide;7,9-dimethylcyclopenta[a]acenaphthylen-8-one;7,9-diphenylcyclopenta[a]acenaphthylen-8-one;methane;7-methyl-9-phenylcyclopenta[a]acenaphthylen-8-one
CID 159510642
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
CID 122684935
1,2-bis(4-fluorophenyl)acenaphthylene
CID 23635200
7,9-bis(3-bromophenyl)cyclopenta[a]acenaphthylen-8-one
CID 118038191
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310337
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
fluoranthene;toluene
CID 173324369
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753

Frequently Asked Questions

What is the IUPAC name of 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide?
The IUPAC name of 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide (CID 101475124) is 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide.
What is the SMILES notation for 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide?
The canonical SMILES for 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide is O=P1(c2ccccc2)C(c2ccccc2)=C2C(=C1c1ccccc1)c1cccc3cccc2c13.
What is the InChIKey of 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide?
The InChIKey is WMJFWVKUODBBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21OP/c33-34(25-18-8-3-9-19-25)31(23-12-4-1-5-13-23)29-26-20-10-16-22-17-11-21-27(28(22)26)30(29)32(34)24-14-6-2-7-15-24/h1-21H.
What are the key properties of 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide?
7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide has a molecular weight of 452.49 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide is sourced from PubChem (CID 101475124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).