[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane

C72H48P2 — CID 102595249

IUPAC[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane
SMILESc1ccc(C2=C(c3ccccc3)c3cc(P(c4ccccc4)c4ccccc4)c(-c4c(P(c5ccccc5)c5ccccc5)cc5c6c(cccc46)C(c4ccccc4)=C5c4ccccc4)c4cccc2c34)cc1
InChIInChI=1S/C72H48P2/c1-9-27-49(28-10-1)65-57-43-25-45-59-69(57)61(67(65)51-31-13-3-14-32-51)47-63(73(53-35-17-5-18-36-53)54-37-19-6-20-38-54)71(59)72-60-46-26-44-58-66(50-29-11-2-12-30-50)68(52-33-15-4-16-34-52)62(70(58)60)48-64(72)74(55-39-21-7-22-40-55)56-41-23-8-24-42-56/h1-48H
InChIKeyMFCKDNXVBJZJLK-UHFFFAOYSA-N
MW975.12 g/mol
LogP15.82
Rot. Bonds11

About [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane

[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane (PubChem CID 102595249) has the molecular formula C72H48P2 and a molecular weight of 975.12 g/mol. Its IUPAC name is [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane
PubChem CID102595249
Molecular FormulaC72H48P2
Molecular Weight975.12 g/mol
Exact Mass974.32
IUPAC Name[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane
SMILESc1ccc(C2=C(c3ccccc3)c3cc(P(c4ccccc4)c4ccccc4)c(-c4c(P(c5ccccc5)c5ccccc5)cc5c6c(cccc46)C(c4ccccc4)=C5c4ccccc4)c4cccc2c34)cc1
InChIInChI=1S/C72H48P2/c1-9-27-49(28-10-1)65-57-43-25-45-59-69(57)61(67(65)51-31-13-3-14-32-51)47-63(73(53-35-17-5-18-36-53)54-37-19-6-20-38-54)71(59)72-60-46-26-44-58-66(50-29-11-2-12-30-50)68(52-33-15-4-16-34-52)62(70(58)60)48-64(72)74(55-39-21-7-22-40-55)56-41-23-8-24-42-56/h1-48H
InChIKeyMFCKDNXVBJZJLK-UHFFFAOYSA-N
XLogP15.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.12
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
CID 144896528
[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164886915
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
[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane
CID 88908059
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
CID 162326327
CID 162326327
[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
CID 144896450
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165

Frequently Asked Questions

What is the IUPAC name of [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane?
The IUPAC name of [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane (CID 102595249) is [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane.
What is the SMILES notation for [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane?
The canonical SMILES for [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane is c1ccc(C2=C(c3ccccc3)c3cc(P(c4ccccc4)c4ccccc4)c(-c4c(P(c5ccccc5)c5ccccc5)cc5c6c(cccc46)C(c4ccccc4)=C5c4ccccc4)c4cccc2c34)cc1.
What is the InChIKey of [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane?
The InChIKey is MFCKDNXVBJZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48P2/c1-9-27-49(28-10-1)65-57-43-25-45-59-69(57)61(67(65)51-31-13-3-14-32-51)47-63(73(53-35-17-5-18-36-53)54-37-19-6-20-38-54)71(59)72-60-46-26-44-58-66(50-29-11-2-12-30-50)68(52-33-15-4-16-34-52)62(70(58)60)48-64(72)74(55-39-21-7-22-40-55)56-41-23-8-24-42-56/h1-48H.
What are the key properties of [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane?
[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane has a molecular weight of 975.12 g/mol, XLogP of 15.82, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane is sourced from PubChem (CID 102595249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).