2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine

C42H27N2OP — CID 144896225

IUPAC2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine
SMILESO=P(c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C42H27N2OP/c45-46(36-20-6-8-26-43-36,37-21-7-9-27-44-37)31-24-22-30(23-25-31)40-33-17-5-4-16-32(33)39(29-12-2-1-3-13-29)41-34-18-10-14-28-15-11-19-35(38(28)34)42(40)41/h1-27H
InChIKeyRSOQZDJWCNHZNI-UHFFFAOYSA-N
MW606.67 g/mol
LogP9.40
Rot. Bonds5

About 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine

2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine (PubChem CID 144896225) has the molecular formula C42H27N2OP and a molecular weight of 606.67 g/mol. Its IUPAC name is 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine.

Molecular Properties

Compound Name2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine
PubChem CID144896225
Molecular FormulaC42H27N2OP
Molecular Weight606.67 g/mol
Exact Mass606.19
IUPAC Name2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine
SMILESO=P(c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C42H27N2OP/c45-46(36-20-6-8-26-43-36,37-21-7-9-27-44-37)31-24-22-30(23-25-31)40-33-17-5-4-16-32(33)39(29-12-2-1-3-13-29)41-34-18-10-14-28-15-11-19-35(38(28)34)42(40)41/h1-27H
InChIKeyRSOQZDJWCNHZNI-UHFFFAOYSA-N
XLogP9.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-8-(12-phenylbenzo[k]fluoranthen-7-yl)dibenzothiophene
CID 148794729
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
2-diphenylphosphorylpyridine
CID 3496437
5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
CID 118633176
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
2-dinaphthalen-1-ylphosphorylpyridine
CID 4586108
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene
CID 118028356
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine?
The IUPAC name of 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine (CID 144896225) is 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine.
What is the SMILES notation for 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine?
The canonical SMILES for 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine is O=P(c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)(c1ccccn1)c1ccccn1.
What is the InChIKey of 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine?
The InChIKey is RSOQZDJWCNHZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N2OP/c45-46(36-20-6-8-26-43-36,37-21-7-9-27-44-37)31-24-22-30(23-25-31)40-33-17-5-4-16-32(33)39(29-12-2-1-3-13-29)41-34-18-10-14-28-15-11-19-35(38(28)34)42(40)41/h1-27H.
What are the key properties of 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine?
2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine has a molecular weight of 606.67 g/mol, XLogP of 9.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine is sourced from PubChem (CID 144896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).