phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane

C61H50OP2 — CID 134405396

IUPACphenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane
SMILESCC1(C)c2cc(P(=O)(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2cc3c(cc21)C1C=CC(Pc2ccccc2)CC1C3(C)C
InChIInChI=1S/C61H50OP2/c1-59(2)54-33-39(63-38-17-7-5-8-18-38)27-30-47(54)49-36-57-50(37-56(49)59)48-32-29-41(34-55(48)60(57,3)4)64(62,40-19-9-6-10-20-40)42-28-31-46-45-23-13-16-26-53(45)61(58(46)35-42)51-24-14-11-21-43(51)44-22-12-15-25-52(44)61/h5-32,34-37,39,47,54,63H,33H2,1-4H3
InChIKeyDPQBYGZUWAOKAN-UHFFFAOYSA-N
MW861.02 g/mol
LogP13.30
Rot. Bonds5

About phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane

phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane (PubChem CID 134405396) has the molecular formula C61H50OP2 and a molecular weight of 861.02 g/mol. Its IUPAC name is phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane.

Molecular Properties

Compound Namephenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane
PubChem CID134405396
Molecular FormulaC61H50OP2
Molecular Weight861.02 g/mol
Exact Mass860.33
IUPAC Namephenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane
SMILESCC1(C)c2cc(P(=O)(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2cc3c(cc21)C1C=CC(Pc2ccccc2)CC1C3(C)C
InChIInChI=1S/C61H50OP2/c1-59(2)54-33-39(63-38-17-7-5-8-18-38)27-30-47(54)49-36-57-50(37-56(49)59)48-32-29-41(34-55(48)60(57,3)4)64(62,40-19-9-6-10-20-40)42-28-31-46-45-23-13-16-26-53(45)61(58(46)35-42)51-24-14-11-21-43(51)44-22-12-15-25-52(44)61/h5-32,34-37,39,47,54,63H,33H2,1-4H3
InChIKeyDPQBYGZUWAOKAN-UHFFFAOYSA-N
XLogP13.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.02
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane?
The IUPAC name of phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane (CID 134405396) is phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane.
What is the SMILES notation for phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane?
The canonical SMILES for phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane is CC1(C)c2cc(P(=O)(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2cc3c(cc21)C1C=CC(Pc2ccccc2)CC1C3(C)C.
What is the InChIKey of phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane?
The InChIKey is DPQBYGZUWAOKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50OP2/c1-59(2)54-33-39(63-38-17-7-5-8-18-38)27-30-47(54)49-36-57-50(37-56(49)59)48-32-29-41(34-55(48)60(57,3)4)64(62,40-19-9-6-10-20-40)42-28-31-46-45-23-13-16-26-53(45)61(58(46)35-42)51-24-14-11-21-43(51)44-22-12-15-25-52(44)61/h5-32,34-37,39,47,54,63H,33H2,1-4H3.
What are the key properties of phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane?
phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane has a molecular weight of 861.02 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane is sourced from PubChem (CID 134405396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).