diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane

C48H31P — CID 144896174

IUPACdiphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
SMILESc1ccc(-c2c3c(c(-c4ccc(P(c5ccccc5)c5ccccc5)c5ccccc45)c4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C48H31P/c1-4-16-33(17-5-1)45-38-26-12-13-27-39(38)46(48-42-29-15-19-32-18-14-28-41(44(32)42)47(45)48)40-30-31-43(37-25-11-10-24-36(37)40)49(34-20-6-2-7-21-34)35-22-8-3-9-23-35/h1-31H
InChIKeyVEFNPMUXXHVZCR-UHFFFAOYSA-N
MW638.75 g/mol
LogP11.89
Rot. Bonds5

About diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane

diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane (PubChem CID 144896174) has the molecular formula C48H31P and a molecular weight of 638.75 g/mol. Its IUPAC name is diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
PubChem CID144896174
Molecular FormulaC48H31P
Molecular Weight638.75 g/mol
Exact Mass638.22
IUPAC Namediphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
SMILESc1ccc(-c2c3c(c(-c4ccc(P(c5ccccc5)c5ccccc5)c5ccccc45)c4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C48H31P/c1-4-16-33(17-5-1)45-38-26-12-13-27-39(38)46(48-42-29-15-19-32-18-14-28-41(44(32)42)47(45)48)40-30-31-43(37-25-11-10-24-36(37)40)49(34-20-6-2-7-21-34)35-22-8-3-9-23-35/h1-31H
InChIKeyVEFNPMUXXHVZCR-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

(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane
CID 144896315
diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
CID 144896186
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
CID 144896528
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
7,14,25,37-tetraphenyltridecacyclo[21.18.2.22,5.127,31.03,19.04,16.06,15.08,13.020,42.024,38.026,36.039,43.035,44]hexatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26(36),27,29,31(44),32,34,37,39(43),40,45-tricosaene
CID 153474269
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane?
The IUPAC name of diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane (CID 144896174) is diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane.
What is the SMILES notation for diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane?
The canonical SMILES for diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane is c1ccc(-c2c3c(c(-c4ccc(P(c5ccccc5)c5ccccc5)c5ccccc45)c4ccccc24)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane?
The InChIKey is VEFNPMUXXHVZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31P/c1-4-16-33(17-5-1)45-38-26-12-13-27-39(38)46(48-42-29-15-19-32-18-14-28-41(44(32)42)47(45)48)40-30-31-43(37-25-11-10-24-36(37)40)49(34-20-6-2-7-21-34)35-22-8-3-9-23-35/h1-31H.
What are the key properties of diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane?
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-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-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane is sourced from PubChem (CID 144896174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).