9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine

C49H35N2OP — CID 164723869

IUPAC9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)nc5ccccc5c4c3Nc3ccccc3)c2)cc1
InChIInChI=1S/C49H35N2OP/c52-53(40-22-9-3-10-23-40,41-24-11-4-12-25-41)42-30-28-35(29-31-42)37-18-15-19-38(34-37)43-32-33-45-47(49(43)50-39-20-7-2-8-21-39)44-26-13-14-27-46(44)51-48(45)36-16-5-1-6-17-36/h1-34,50H
InChIKeyDZNKCSAJJIQLLS-UHFFFAOYSA-N
MW698.81 g/mol
LogP11.77
Rot. Bonds8

About 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine

9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine (PubChem CID 164723869) has the molecular formula C49H35N2OP and a molecular weight of 698.81 g/mol. Its IUPAC name is 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine.

Molecular Properties

Compound Name9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine
PubChem CID164723869
Molecular FormulaC49H35N2OP
Molecular Weight698.81 g/mol
Exact Mass698.25
IUPAC Name9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)nc5ccccc5c4c3Nc3ccccc3)c2)cc1
InChIInChI=1S/C49H35N2OP/c52-53(40-22-9-3-10-23-40,41-24-11-4-12-25-41)42-30-28-35(29-31-42)37-18-15-19-38(34-37)43-32-33-45-47(49(43)50-39-20-7-2-8-21-39)44-26-13-14-27-46(44)51-48(45)36-16-5-1-6-17-36/h1-34,50H
InChIKeyDZNKCSAJJIQLLS-UHFFFAOYSA-N
XLogP11.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.81
LogP ≤ 511.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
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
6-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383072
6-(4-diphenylphosphorylphenyl)-3,14-diphenyl-3,15-diazapentacyclo[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 164723914
11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
CID 164767654
3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591822
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471916

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine?
The IUPAC name of 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine (CID 164723869) is 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine.
What is the SMILES notation for 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine?
The canonical SMILES for 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)nc5ccccc5c4c3Nc3ccccc3)c2)cc1.
What is the InChIKey of 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine?
The InChIKey is DZNKCSAJJIQLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N2OP/c52-53(40-22-9-3-10-23-40,41-24-11-4-12-25-41)42-30-28-35(29-31-42)37-18-15-19-38(34-37)43-32-33-45-47(49(43)50-39-20-7-2-8-21-39)44-26-13-14-27-46(44)51-48(45)36-16-5-1-6-17-36/h1-34,50H.
What are the key properties of 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine?
9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine has a molecular weight of 698.81 g/mol, XLogP of 11.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine is sourced from PubChem (CID 164723869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).