8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene

C58H40O2P2 — CID 118028356

IUPAC8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-c2cc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C58H40O2P2/c59-61(45-27-11-3-12-28-45,46-29-13-4-14-30-46)49-37-44(38-50(39-49)62(60,47-31-15-5-16-32-47)48-33-17-6-18-34-48)54-40-53(41-21-7-1-8-22-41)57-51-35-19-25-42-26-20-36-52(55(42)51)58(57)56(54)43-23-9-2-10-24-43/h1-40H
InChIKeyGMFRBWIXEJBBDT-UHFFFAOYSA-N
MW830.90 g/mol
LogP12.77
Rot. Bonds9

About 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene

8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene (PubChem CID 118028356) has the molecular formula C58H40O2P2 and a molecular weight of 830.90 g/mol. Its IUPAC name is 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene.

Molecular Properties

Compound Name8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene
PubChem CID118028356
Molecular FormulaC58H40O2P2
Molecular Weight830.90 g/mol
Exact Mass830.25
IUPAC Name8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-c2cc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C58H40O2P2/c59-61(45-27-11-3-12-28-45,46-29-13-4-14-30-46)49-37-44(38-50(39-49)62(60,47-31-15-5-16-32-47)48-33-17-6-18-34-48)54-40-53(41-21-7-1-8-22-41)57-51-35-19-25-42-26-20-36-52(55(42)51)58(57)56(54)43-23-9-2-10-24-43/h1-40H
InChIKeyGMFRBWIXEJBBDT-UHFFFAOYSA-N
XLogP12.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.90
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
CID 118028340
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
CID 166868480
2-diphenylphosphoryl-8-(12-phenylbenzo[k]fluoranthen-7-yl)dibenzothiophene
CID 148794729
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
CID 166868488
2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
CID 86040255
4-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 118314559
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile
CID 166868417

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene?
The IUPAC name of 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene (CID 118028356) is 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene.
What is the SMILES notation for 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene?
The canonical SMILES for 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene is O=P(c1ccccc1)(c1ccccc1)c1cc(-c2cc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene?
The InChIKey is GMFRBWIXEJBBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40O2P2/c59-61(45-27-11-3-12-28-45,46-29-13-4-14-30-46)49-37-44(38-50(39-49)62(60,47-31-15-5-16-32-47)48-33-17-6-18-34-48)54-40-53(41-21-7-1-8-22-41)57-51-35-19-25-42-26-20-36-52(55(42)51)58(57)56(54)43-23-9-2-10-24-43/h1-40H.
What are the key properties of 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene?
8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene has a molecular weight of 830.90 g/mol, XLogP of 12.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene is sourced from PubChem (CID 118028356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).