[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane

C56H37P — CID 144896528

IUPAC[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
SMILESc1ccc(-c2ccccc2P(c2ccccc2)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37P/c1-5-18-38(19-6-1)45-26-15-16-31-51(45)57(42-24-11-4-12-25-42)43-34-32-39(33-35-43)44-36-37-50-54-46(44)29-17-30-49(54)55-52(40-20-7-2-8-21-40)47-27-13-14-28-48(47)53(56(50)55)41-22-9-3-10-23-41/h1-37H
InChIKeyBCIPITGCJNPQHE-UHFFFAOYSA-N
MW740.89 g/mol
LogP14.07
Rot. Bonds7

About [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane

[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane (PubChem CID 144896528) has the molecular formula C56H37P and a molecular weight of 740.89 g/mol. Its IUPAC name is [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane.

Molecular Properties

Compound Name[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
PubChem CID144896528
Molecular FormulaC56H37P
Molecular Weight740.89 g/mol
Exact Mass740.26
IUPAC Name[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
SMILESc1ccc(-c2ccccc2P(c2ccccc2)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37P/c1-5-18-38(19-6-1)45-26-15-16-31-51(45)57(42-24-11-4-12-25-42)43-34-32-39(33-35-43)44-36-37-50-54-46(44)29-17-30-49(54)55-52(40-20-7-2-8-21-40)47-27-13-14-28-48(47)53(56(50)55)41-22-9-3-10-23-41/h1-37H
InChIKeyBCIPITGCJNPQHE-UHFFFAOYSA-N
XLogP14.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.89
LogP ≤ 514.07
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-[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
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]naphthalene-1-carbonitrile
CID 70847157
4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
CID 70847205
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
CID 58988745

Frequently Asked Questions

What is the IUPAC name of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane?
The IUPAC name of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane (CID 144896528) is [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane.
What is the SMILES notation for [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane?
The canonical SMILES for [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane is c1ccc(-c2ccccc2P(c2ccccc2)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane?
The InChIKey is BCIPITGCJNPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37P/c1-5-18-38(19-6-1)45-26-15-16-31-51(45)57(42-24-11-4-12-25-42)43-34-32-39(33-35-43)44-36-37-50-54-46(44)29-17-30-49(54)55-52(40-20-7-2-8-21-40)47-27-13-14-28-48(47)53(56(50)55)41-22-9-3-10-23-41/h1-37H.
What are the key properties of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane?
[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane has a molecular weight of 740.89 g/mol, XLogP of 14.07, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane is sourced from PubChem (CID 144896528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).