[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane

C45H42P2 — CID 11228525

IUPAC[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2cccc3c2C2(CC3)CCc3cccc(P(c4ccc(C)cc4)c4ccc(C)cc4)c32)cc1
InChIInChI=1S/C45H42P2/c1-31-11-19-37(20-12-31)46(38-21-13-32(2)14-22-38)41-9-5-7-35-27-29-45(43(35)41)30-28-36-8-6-10-42(44(36)45)47(39-23-15-33(3)16-24-39)40-25-17-34(4)18-26-40/h5-26H,27-30H2,1-4H3
InChIKeyVLIOMJFCGWZUON-UHFFFAOYSA-N
MW644.78 g/mol
LogP8.62
Rot. Bonds6

About [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane

[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane (PubChem CID 11228525) has the molecular formula C45H42P2 and a molecular weight of 644.78 g/mol. Its IUPAC name is [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane
PubChem CID11228525
Molecular FormulaC45H42P2
Molecular Weight644.78 g/mol
Exact Mass644.28
IUPAC Name[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2cccc3c2C2(CC3)CCc3cccc(P(c4ccc(C)cc4)c4ccc(C)cc4)c32)cc1
InChIInChI=1S/C45H42P2/c1-31-11-19-37(20-12-31)46(38-21-13-32(2)14-22-38)41-9-5-7-35-27-29-45(43(35)41)30-28-36-8-6-10-42(44(36)45)47(39-23-15-33(3)16-24-39)40-25-17-34(4)18-26-40/h5-26H,27-30H2,1-4H3
InChIKeyVLIOMJFCGWZUON-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 58.62
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

9,9-Diphenylfluorene
CID 413569
9,9'-Bifluorene
CID 137063
Phosphine, 1,1'-[[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[1,1-diphenyl-
CID 10985391
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
(R)-Xyl-SDP
CID 11309256
Fluoren-9-ylidenetriphenylphosphorane
CID 249417
1H-Indene, 2,3-dihydro-1,3-dimethyl-1-(2-methyl-2-phenylpropyl)-3-phenyl-
CID 170585
5-[4-(3,4-Dihydro-2H-pyrano[3,2-c]pyridin-5-yloxy)-2-methylphenyl]-4,6-dimethylpyridazin-3(2H)-one (14)
CID 126584461
Phosphonium, 9H-fluoren-9-yltriphenyl-, bromide (1:1)
CID 18702719
9-Methyl-9-phenylfluorene
CID 4383936
(1,2-Phenylenebis(methylene))bis(triphenylphosphonium) dibromide
CID 380171
9H-fluoren-9-yltriphenylphosphonium bromide
CID 499996

Frequently Asked Questions

What is the IUPAC name of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane?
The IUPAC name of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane (CID 11228525) is [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane.
What is the SMILES notation for [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane?
The canonical SMILES for [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2C2(CC3)CCc3cccc(P(c4ccc(C)cc4)c4ccc(C)cc4)c32)cc1.
What is the InChIKey of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane?
The InChIKey is VLIOMJFCGWZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42P2/c1-31-11-19-37(20-12-31)46(38-21-13-32(2)14-22-38)41-9-5-7-35-27-29-45(43(35)41)30-28-36-8-6-10-42(44(36)45)47(39-23-15-33(3)16-24-39)40-25-17-34(4)18-26-40/h5-26H,27-30H2,1-4H3.
What are the key properties of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane?
[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane has a molecular weight of 644.78 g/mol, XLogP of 8.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 11228525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).