diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane

C48H31P — CID 144896186

IUPACdiphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
SMILESc1ccc(-c2c3c(c(-c4ccc5cc(P(c6ccccc6)c6ccccc6)ccc5c4)c4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C48H31P/c1-4-14-33(15-5-1)45-40-22-10-11-23-41(40)46(48-43-25-13-17-32-16-12-24-42(44(32)43)47(45)48)36-27-26-35-31-39(29-28-34(35)30-36)49(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-31H
InChIKeyHABVVEGAXRNNGV-UHFFFAOYSA-N
MW638.75 g/mol
LogP11.89
Rot. Bonds5

About diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane

diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane (PubChem CID 144896186) has the molecular formula C48H31P and a molecular weight of 638.75 g/mol. Its IUPAC name is diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
PubChem CID144896186
Molecular FormulaC48H31P
Molecular Weight638.75 g/mol
Exact Mass638.22
IUPAC Namediphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
SMILESc1ccc(-c2c3c(c(-c4ccc5cc(P(c6ccccc6)c6ccccc6)ccc5c4)c4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C48H31P/c1-4-14-33(15-5-1)45-40-22-10-11-23-41(40)46(48-43-25-13-17-32-16-12-24-42(44(32)43)47(45)48)36-27-26-35-31-39(29-28-34(35)30-36)49(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-31H
InChIKeyHABVVEGAXRNNGV-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.75
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
CID 144896373
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
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
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane
CID 170194459
9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167
[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
CID 144896450

Frequently Asked Questions

What is the IUPAC name of diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane?
The IUPAC name of diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane (CID 144896186) is diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane is c1ccc(-c2c3c(c(-c4ccc5cc(P(c6ccccc6)c6ccccc6)ccc5c4)c4ccccc24)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane?
The InChIKey is HABVVEGAXRNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31P/c1-4-14-33(15-5-1)45-40-22-10-11-23-41(40)46(48-43-25-13-17-32-16-12-24-42(44(32)43)47(45)48)36-27-26-35-31-39(29-28-34(35)30-36)49(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-31H.
What are the key properties of diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane?
diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane has a molecular weight of 638.75 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 144896186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).