5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine

C45H30NOP — CID 129265519

IUPAC5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4ccc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C45H30NOP/c47-48(33-14-3-1-4-15-33,34-16-5-2-6-17-34)35-26-23-32(24-27-35)36-29-30-42(39-20-10-9-19-38(36)39)45-44-37-18-8-7-13-31(37)25-28-41(44)40-21-11-12-22-43(40)46-45/h1-30H
InChIKeyUAVBKFBPJGBCNB-UHFFFAOYSA-N
MW631.72 g/mol
LogP10.67
Rot. Bonds5

About 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine

5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine (PubChem CID 129265519) has the molecular formula C45H30NOP and a molecular weight of 631.72 g/mol. Its IUPAC name is 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine.

Molecular Properties

Compound Name5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine
PubChem CID129265519
Molecular FormulaC45H30NOP
Molecular Weight631.72 g/mol
Exact Mass631.21
IUPAC Name5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4ccc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C45H30NOP/c47-48(33-14-3-1-4-15-33,34-16-5-2-6-17-34)35-26-23-32(24-27-35)36-29-30-42(39-20-10-9-19-38(36)39)45-44-37-18-8-7-13-31(37)25-28-41(44)40-21-11-12-22-43(40)46-45/h1-30H
InChIKeyUAVBKFBPJGBCNB-UHFFFAOYSA-N
XLogP10.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.72
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
CID 164767654
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
5-[4-(4-diphenylphosphorylphenyl)phenyl]-3-phenylbenzo[i][1,9]phenanthroline
CID 164810755
9-(4-diphenylphosphorylphenyl)-12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129176255
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
5-[4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[i]phenanthridine
CID 147439693
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[i]phenanthridine
CID 155792697
5-[4-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[i]phenanthridine
CID 147611167
7-(4-diphenylphosphorylphenyl)-21-naphthalen-2-yl-9-phenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 164723835
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
5-(4-diphenylphosphorylphenyl)-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009732

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine?
The IUPAC name of 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine (CID 129265519) is 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine.
What is the SMILES notation for 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine?
The canonical SMILES for 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4ccc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine?
The InChIKey is UAVBKFBPJGBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30NOP/c47-48(33-14-3-1-4-15-33,34-16-5-2-6-17-34)35-26-23-32(24-27-35)36-29-30-42(39-20-10-9-19-38(36)39)45-44-37-18-8-7-13-31(37)25-28-41(44)40-21-11-12-22-43(40)46-45/h1-30H.
What are the key properties of 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine?
5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine has a molecular weight of 631.72 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine is sourced from PubChem (CID 129265519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).