(8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane

C40H34P2 — CID 126584461

IUPAC(8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane
SMILESCC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Cc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C40H34P2/c1-40(2)36-25-15-27-38(41(30-17-7-3-8-18-30)31-19-9-4-10-20-31)34(36)29-35-37(40)26-16-28-39(35)42(32-21-11-5-12-22-32)33-23-13-6-14-24-33/h3-28H,29H2,1-2H3
InChIKeyXPJKWTOMGVDRDJ-UHFFFAOYSA-N
MW576.66 g/mol
LogP7.43
Rot. Bonds6

About (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane

(8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane (PubChem CID 126584461) has the molecular formula C40H34P2 and a molecular weight of 576.66 g/mol. Its IUPAC name is (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane
PubChem CID126584461
Molecular FormulaC40H34P2
Molecular Weight576.66 g/mol
Exact Mass576.21
IUPAC Name(8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane
SMILESCC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Cc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C40H34P2/c1-40(2)36-25-15-27-38(41(30-17-7-3-8-18-30)31-19-9-4-10-20-31)34(36)29-35-37(40)26-16-28-39(35)42(32-21-11-5-12-22-32)33-23-13-6-14-24-33/h3-28H,29H2,1-2H3
InChIKeyXPJKWTOMGVDRDJ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 57.43
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

Fenbutatin oxide
CID 16683004
7-Methylbenzo(a)pyrene
CID 44368
9,10-Diphenylanthracene
CID 15159
Rubrene
CID 68203
Ovalene
CID 67446
Triptycene
CID 92764
Dibenzo(b,k)Chrysene
CID 9169
9,9'-Bianthryl
CID 66105
8-Methylbenzo(a)pyrene
CID 44367
10-Methylbenzo(a)pyrene
CID 44392
Dibenzo(a,l)pentacene
CID 67471
Phosphonium, triphenyl(triphenylmethyl)-, chloride
CID 85420

Frequently Asked Questions

What is the IUPAC name of (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane?
The IUPAC name of (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane (CID 126584461) is (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane.
What is the SMILES notation for (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane?
The canonical SMILES for (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane is CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Cc2c(P(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane?
The InChIKey is XPJKWTOMGVDRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34P2/c1-40(2)36-25-15-27-38(41(30-17-7-3-8-18-30)31-19-9-4-10-20-31)34(36)29-35-37(40)26-16-28-39(35)42(32-21-11-5-12-22-32)33-23-13-6-14-24-33/h3-28H,29H2,1-2H3.
What are the key properties of (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane?
(8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane has a molecular weight of 576.66 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-diphenylphosphanyl-10,10-dimethyl-9H-anthracen-1-yl)-diphenylphosphane is sourced from PubChem (CID 126584461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).