benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane

C38H25P — CID 144896423

IUPACbenzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
SMILESc1ccc(-c2cccc(P(c3ccccc3)c3ccc4c5c(cccc35)-c3cc5ccccc5cc3-4)c2)cc1
InChIInChI=1S/C38H25P/c1-3-11-26(12-4-1)27-15-9-18-31(23-27)39(30-16-5-2-6-17-30)37-22-21-33-36-25-29-14-8-7-13-28(29)24-35(36)32-19-10-20-34(37)38(32)33/h1-25H
InChIKeySULWYCAIQDLUCE-UHFFFAOYSA-N
MW512.59 g/mol
LogP9.07
Rot. Bonds4

About benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane

benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane (PubChem CID 144896423) has the molecular formula C38H25P and a molecular weight of 512.59 g/mol. Its IUPAC name is benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane.

Molecular Properties

Compound Namebenzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
PubChem CID144896423
Molecular FormulaC38H25P
Molecular Weight512.59 g/mol
Exact Mass512.17
IUPAC Namebenzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
SMILESc1ccc(-c2cccc(P(c3ccccc3)c3ccc4c5c(cccc35)-c3cc5ccccc5cc3-4)c2)cc1
InChIInChI=1S/C38H25P/c1-3-11-26(12-4-1)27-15-9-18-31(23-27)39(30-16-5-2-6-17-30)37-22-21-33-36-25-29-14-8-7-13-28(29)24-35(36)32-19-10-20-34(37)38(32)33/h1-25H
InChIKeySULWYCAIQDLUCE-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)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
[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
CID 144896450
(3-benzo[k]fluoranthen-3-ylphenyl)-cyclopenta-1,2-dien-1-yl-phenylphosphane;ethane
CID 144896444
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane
CID 144896315
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
perylen-3-yl(diphenyl)phosphane
CID 91193138
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129

Frequently Asked Questions

What is the IUPAC name of benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane?
The IUPAC name of benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane (CID 144896423) is benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane.
What is the SMILES notation for benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane?
The canonical SMILES for benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane is c1ccc(-c2cccc(P(c3ccccc3)c3ccc4c5c(cccc35)-c3cc5ccccc5cc3-4)c2)cc1.
What is the InChIKey of benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane?
The InChIKey is SULWYCAIQDLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25P/c1-3-11-26(12-4-1)27-15-9-18-31(23-27)39(30-16-5-2-6-17-30)37-22-21-33-36-25-29-14-8-7-13-28(29)24-35(36)32-19-10-20-34(37)38(32)33/h1-25H.
What are the key properties of benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane?
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane has a molecular weight of 512.59 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane is sourced from PubChem (CID 144896423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).