7-(3-diphenylphosphorylphenyl)benzo[c]acridine

C35H24NOP — CID 146203985

IUPAC7-(3-diphenylphosphorylphenyl)benzo[c]acridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3nc3c2ccc2ccccc23)c1
InChIInChI=1S/C35H24NOP/c37-38(27-14-3-1-4-15-27,28-16-5-2-6-17-28)29-18-11-13-26(24-29)34-31-20-9-10-21-33(31)36-35-30-19-8-7-12-25(30)22-23-32(34)35/h1-24H
InChIKeyWZIHSAFMTWIACY-UHFFFAOYSA-N
MW505.56 g/mol
LogP7.85
Rot. Bonds4

About 7-(3-diphenylphosphorylphenyl)benzo[c]acridine

7-(3-diphenylphosphorylphenyl)benzo[c]acridine (PubChem CID 146203985) has the molecular formula C35H24NOP and a molecular weight of 505.56 g/mol. Its IUPAC name is 7-(3-diphenylphosphorylphenyl)benzo[c]acridine.

Molecular Properties

Compound Name7-(3-diphenylphosphorylphenyl)benzo[c]acridine
PubChem CID146203985
Molecular FormulaC35H24NOP
Molecular Weight505.56 g/mol
Exact Mass505.16
IUPAC Name7-(3-diphenylphosphorylphenyl)benzo[c]acridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3nc3c2ccc2ccccc23)c1
InChIInChI=1S/C35H24NOP/c37-38(27-14-3-1-4-15-27,28-16-5-2-6-17-28)29-18-11-13-26(24-29)34-31-20-9-10-21-33(31)36-35-30-19-8-7-12-25(30)22-23-32(34)35/h1-24H
InChIKeyWZIHSAFMTWIACY-UHFFFAOYSA-N
XLogP7.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(3-diphenylphosphorylphenyl)acridine
CID 146204114
13-(3-diphenylphosphorylphenyl)-7,19-dipropyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene
CID 162779791
[4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]phenyl]-dimethyl-methylidene-λ5-phosphane;13-(3-dimethylphosphorylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 161177143
7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856150
7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
CID 122471852
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]-diphenylphosphane
CID 123786527
13-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445662
3-diphenylphosphorylphenanthrene
CID 170944174

Frequently Asked Questions

What is the IUPAC name of 7-(3-diphenylphosphorylphenyl)benzo[c]acridine?
The IUPAC name of 7-(3-diphenylphosphorylphenyl)benzo[c]acridine (CID 146203985) is 7-(3-diphenylphosphorylphenyl)benzo[c]acridine.
What is the SMILES notation for 7-(3-diphenylphosphorylphenyl)benzo[c]acridine?
The canonical SMILES for 7-(3-diphenylphosphorylphenyl)benzo[c]acridine is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3nc3c2ccc2ccccc23)c1.
What is the InChIKey of 7-(3-diphenylphosphorylphenyl)benzo[c]acridine?
The InChIKey is WZIHSAFMTWIACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24NOP/c37-38(27-14-3-1-4-15-27,28-16-5-2-6-17-28)29-18-11-13-26(24-29)34-31-20-9-10-21-33(31)36-35-30-19-8-7-12-25(30)22-23-32(34)35/h1-24H.
What are the key properties of 7-(3-diphenylphosphorylphenyl)benzo[c]acridine?
7-(3-diphenylphosphorylphenyl)benzo[c]acridine has a molecular weight of 505.56 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-diphenylphosphorylphenyl)benzo[c]acridine is sourced from PubChem (CID 146203985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).