(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane

C50H33P — CID 144896315

IUPAC(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane
SMILESc1ccc(-c2ccccc2P(c2ccccc2)c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C50H33P/c1-5-18-34(19-6-1)38-26-15-16-31-44(38)51(37-24-11-4-12-25-37)45-33-32-43-48-41(45)29-17-30-42(48)49-46(35-20-7-2-8-21-35)39-27-13-14-28-40(39)47(50(43)49)36-22-9-3-10-23-36/h1-33H
InChIKeyXNYMXSRUSIXVCP-UHFFFAOYSA-N
MW664.79 g/mol
LogP12.40
Rot. Bonds6

About (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane

(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane (PubChem CID 144896315) has the molecular formula C50H33P and a molecular weight of 664.79 g/mol. Its IUPAC name is (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane.

Molecular Properties

Compound Name(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane
PubChem CID144896315
Molecular FormulaC50H33P
Molecular Weight664.79 g/mol
Exact Mass664.23
IUPAC Name(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane
SMILESc1ccc(-c2ccccc2P(c2ccccc2)c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C50H33P/c1-5-18-34(19-6-1)38-26-15-16-31-44(38)51(37-24-11-4-12-25-37)45-33-32-43-48-41(45)29-17-30-42(48)49-46(35-20-7-2-8-21-35)39-27-13-14-28-40(39)47(50(43)49)36-22-9-3-10-23-36/h1-33H
InChIKeyXNYMXSRUSIXVCP-UHFFFAOYSA-N
XLogP12.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.79
LogP ≤ 512.40
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

[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
CID 144896528
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
CID 144896186
3,5,8,10,17-pentakis-phenyl-24-(2-phenylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4,6,8,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 140722698
3,5,8,10,17,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722791
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912

Frequently Asked Questions

What is the IUPAC name of (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane?
The IUPAC name of (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane (CID 144896315) is (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane.
What is the SMILES notation for (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane?
The canonical SMILES for (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane is c1ccc(-c2ccccc2P(c2ccccc2)c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane?
The InChIKey is XNYMXSRUSIXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33P/c1-5-18-34(19-6-1)38-26-15-16-31-44(38)51(37-24-11-4-12-25-37)45-33-32-43-48-41(45)29-17-30-42(48)49-46(35-20-7-2-8-21-35)39-27-13-14-28-40(39)47(50(43)49)36-22-9-3-10-23-36/h1-33H.
What are the key properties of (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane?
(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane has a molecular weight of 664.79 g/mol, XLogP of 12.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane is sourced from PubChem (CID 144896315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).