[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane

C48H31P — CID 144896450

IUPAC[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H31P/c1-3-14-35(15-4-1)49(36-16-5-2-6-17-36)37-24-22-32(23-25-37)38-26-27-41(40-19-10-9-18-39(38)40)42-28-29-45-47-31-34-13-8-7-12-33(34)30-46(47)44-21-11-20-43(42)48(44)45/h1-31H
InChIKeyYRTFSMXPOCGIOS-UHFFFAOYSA-N
MW638.75 g/mol
LogP11.89
Rot. Bonds5

About [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane

[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane (PubChem CID 144896450) has the molecular formula C48H31P and a molecular weight of 638.75 g/mol. Its IUPAC name is [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
PubChem CID144896450
Molecular FormulaC48H31P
Molecular Weight638.75 g/mol
Exact Mass638.22
IUPAC Name[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H31P/c1-3-14-35(15-4-1)49(36-16-5-2-6-17-36)37-24-22-32(23-25-37)38-26-27-41(40-19-10-9-18-39(38)40)42-28-29-45-47-31-34-13-8-7-12-33(34)30-46(47)44-21-11-20-43(42)48(44)45/h1-31H
InChIKeyYRTFSMXPOCGIOS-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'}

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Related Compounds

(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
CID 144896373
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl(diphenyl)phosphane
CID 144896334
(3-benzo[k]fluoranthen-3-ylphenyl)-cyclopenta-1,2-dien-1-yl-phenylphosphane;ethane
CID 144896444
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane (CID 144896450) is [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)c4ccccc34)cc2)cc1.
What is the InChIKey of [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane?
The InChIKey is YRTFSMXPOCGIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31P/c1-3-14-35(15-4-1)49(36-16-5-2-6-17-36)37-24-22-32(23-25-37)38-26-27-41(40-19-10-9-18-39(38)40)42-28-29-45-47-31-34-13-8-7-12-33(34)30-46(47)44-21-11-20-43(42)48(44)45/h1-31H.
What are the key properties of [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane?
[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane 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 [4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 144896450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).