[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane

C53H42P2 — CID 101402918

IUPAC[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(c4ccc(C)cc4)c4ccc(C)cc4)cc32)cc1
InChIInChI=1S/C53H42P2/c1-35-13-21-39(22-14-35)54(40-23-15-36(2)16-24-40)43-29-31-47-45-9-5-7-11-49(45)53(51(47)33-43)50-12-8-6-10-46(50)48-32-30-44(34-52(48)53)55(41-25-17-37(3)18-26-41)42-27-19-38(4)20-28-42/h5-34H,1-4H3
InChIKeyFOMGKJZMASKSEE-UHFFFAOYSA-N
MW740.87 g/mol
LogP10.78
Rot. Bonds6

About [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane

[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane (PubChem CID 101402918) has the molecular formula C53H42P2 and a molecular weight of 740.87 g/mol. Its IUPAC name is [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane
PubChem CID101402918
Molecular FormulaC53H42P2
Molecular Weight740.87 g/mol
Exact Mass740.28
IUPAC Name[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(c4ccc(C)cc4)c4ccc(C)cc4)cc32)cc1
InChIInChI=1S/C53H42P2/c1-35-13-21-39(22-14-35)54(40-23-15-36(2)16-24-40)43-29-31-47-45-9-5-7-11-49(45)53(51(47)33-43)50-12-8-6-10-46(50)48-32-30-44(34-52(48)53)55(41-25-17-37(3)18-26-41)42-27-19-38(4)20-28-42/h5-34H,1-4H3
InChIKeyFOMGKJZMASKSEE-UHFFFAOYSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane?
The IUPAC name of [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane (CID 101402918) is [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane.
What is the SMILES notation for [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane?
The canonical SMILES for [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(c4ccc(C)cc4)c4ccc(C)cc4)cc32)cc1.
What is the InChIKey of [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane?
The InChIKey is FOMGKJZMASKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42P2/c1-35-13-21-39(22-14-35)54(40-23-15-36(2)16-24-40)43-29-31-47-45-9-5-7-11-49(45)53(51(47)33-43)50-12-8-6-10-46(50)48-32-30-44(34-52(48)53)55(41-25-17-37(3)18-26-41)42-27-19-38(4)20-28-42/h5-34H,1-4H3.
What are the key properties of [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane?
[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane has a molecular weight of 740.87 g/mol, XLogP of 10.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 101402918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).