phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane

C52H33N2P — CID 135128597

IUPACphenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane
SMILESc1ccc(-c2nc3ccccc3c3c2cc(P(c2ccccc2)c2cc4c(-c5ccccc5)nc5ccccc5c4c4ccccc24)c2ccccc23)cc1
InChIInChI=1S/C52H33N2P/c1-4-18-34(19-5-1)51-43-32-47(37-24-10-12-26-39(37)49(43)41-28-14-16-30-45(41)53-51)55(36-22-8-3-9-23-36)48-33-44-50(40-27-13-11-25-38(40)48)42-29-15-17-31-46(42)54-52(44)35-20-6-2-7-21-35/h1-33H
InChIKeyOJDBEIMVRYMBKN-UHFFFAOYSA-N
MW716.82 g/mol
LogP12.49
Rot. Bonds5

About phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane

phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane (PubChem CID 135128597) has the molecular formula C52H33N2P and a molecular weight of 716.82 g/mol. Its IUPAC name is phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane.

Molecular Properties

Compound Namephenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane
PubChem CID135128597
Molecular FormulaC52H33N2P
Molecular Weight716.82 g/mol
Exact Mass716.24
IUPAC Namephenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane
SMILESc1ccc(-c2nc3ccccc3c3c2cc(P(c2ccccc2)c2cc4c(-c5ccccc5)nc5ccccc5c4c4ccccc24)c2ccccc23)cc1
InChIInChI=1S/C52H33N2P/c1-4-18-34(19-5-1)51-43-32-47(37-24-10-12-26-39(37)49(43)41-28-14-16-30-45(41)53-51)55(36-22-8-3-9-23-36)48-33-44-50(40-27-13-11-25-38(40)48)42-29-15-17-31-46(42)54-52(44)35-20-6-2-7-21-35/h1-33H
InChIKeyOJDBEIMVRYMBKN-UHFFFAOYSA-N
XLogP12.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.82
LogP ≤ 512.49
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

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332224
12-phenyl-9-[4-(6-phenylbenzo[k]phenanthridin-8-yl)phenyl]-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 129176197
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605623
6-phenyl-8-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332209
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
8-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 123166105
N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline
CID 171055301
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605693
8-[3-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332243
4-[8-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055002

Frequently Asked Questions

What is the IUPAC name of phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane?
The IUPAC name of phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane (CID 135128597) is phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane.
What is the SMILES notation for phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane?
The canonical SMILES for phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane is c1ccc(-c2nc3ccccc3c3c2cc(P(c2ccccc2)c2cc4c(-c5ccccc5)nc5ccccc5c4c4ccccc24)c2ccccc23)cc1.
What is the InChIKey of phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane?
The InChIKey is OJDBEIMVRYMBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N2P/c1-4-18-34(19-5-1)51-43-32-47(37-24-10-12-26-39(37)49(43)41-28-14-16-30-45(41)53-51)55(36-22-8-3-9-23-36)48-33-44-50(40-27-13-11-25-38(40)48)42-29-15-17-31-46(42)54-52(44)35-20-6-2-7-21-35/h1-33H.
What are the key properties of phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane?
phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane has a molecular weight of 716.82 g/mol, XLogP of 12.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(6-phenylbenzo[k]phenanthridin-8-yl)phosphane is sourced from PubChem (CID 135128597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).