2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]

C38H27OP — CID 123272596

IUPAC2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1cc(P(=O)(c2ccccc2)c2ccccc2)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C38H27OP/c1-26-24-29(40(39,27-14-4-2-5-15-27)28-16-6-3-7-17-28)25-36-37(26)32-20-10-13-23-35(32)38(36)33-21-11-8-18-30(33)31-19-9-12-22-34(31)38/h2-25H,1H3
InChIKeyXQYRBSGNGXIUGQ-UHFFFAOYSA-N
MW530.61 g/mol
LogP7.98
Rot. Bonds3

About 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]

2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene] (PubChem CID 123272596) has the molecular formula C38H27OP and a molecular weight of 530.61 g/mol. Its IUPAC name is 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]
PubChem CID123272596
Molecular FormulaC38H27OP
Molecular Weight530.61 g/mol
Exact Mass530.18
IUPAC Name2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1cc(P(=O)(c2ccccc2)c2ccccc2)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C38H27OP/c1-26-24-29(40(39,27-14-4-2-5-15-27)28-16-6-3-7-17-28)25-36-37(26)32-20-10-13-23-35(32)38(36)33-21-11-8-18-30(33)31-19-9-12-22-34(31)38/h2-25H,1H3
InChIKeyXQYRBSGNGXIUGQ-UHFFFAOYSA-N
XLogP7.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

20-diphenylphosphoryl-18,23,23-trimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 138742039
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2,4-dimethyl-9,9-diphenylfluorene
CID 144876512
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388643
2'-diphenylphosphoryl-7'-[(4-methylcyclohexa-2,4-dien-1-yl)-phenylphosphoryl]-9,9'-spirobi[fluorene]
CID 134550611
3-(4-diphenylphosphorylphenyl)-1,7-dimethyl-7-(trideuteriomethyl)benzo[a]phenalene
CID 130263902
2-bis[3,5-bis(trifluoromethyl)phenyl]phosphoryl-9,9'-spirobi[fluorene]
CID 88865297
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 130379369

Frequently Asked Questions

What is the IUPAC name of 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene] (CID 123272596) is 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene] is Cc1cc(P(=O)(c2ccccc2)c2ccccc2)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]?
The InChIKey is XQYRBSGNGXIUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27OP/c1-26-24-29(40(39,27-14-4-2-5-15-27)28-16-6-3-7-17-28)25-36-37(26)32-20-10-13-23-35(32)38(36)33-21-11-8-18-30(33)31-19-9-12-22-34(31)38/h2-25H,1H3.
What are the key properties of 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]?
2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene] has a molecular weight of 530.61 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 123272596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).