2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide

C33H27O2P — CID 135299826

IUPAC2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide
SMILESCc1oc2c(c1-c1ccccc1)P(=O)(C(C)C)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C33H27O2P/c1-21(2)36(34)29-20-12-11-19-28(29)33(26-17-9-7-15-24(26)25-16-8-10-18-27(25)33)32-31(36)30(22(3)35-32)23-13-5-4-6-14-23/h4-21H,1-3H3
InChIKeyFNCQZLSWFNUAAE-UHFFFAOYSA-N
MW486.55 g/mol
LogP7.65
Rot. Bonds2

About 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide

2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide (PubChem CID 135299826) has the molecular formula C33H27O2P and a molecular weight of 486.55 g/mol. Its IUPAC name is 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide.

Molecular Properties

Compound Name2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide
PubChem CID135299826
Molecular FormulaC33H27O2P
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC Name2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide
SMILESCc1oc2c(c1-c1ccccc1)P(=O)(C(C)C)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C33H27O2P/c1-21(2)36(34)29-20-12-11-19-28(29)33(26-17-9-7-15-24(26)25-16-8-10-18-27(25)33)32-31(36)30(22(3)35-32)23-13-5-4-6-14-23/h4-21H,1-3H3
InChIKeyFNCQZLSWFNUAAE-UHFFFAOYSA-N
XLogP7.65
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine
CID 148962083
10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide
CID 134402630
10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
CID 147847135
2'-ethyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-furo[3,2-b]quinoline]
CID 163846275
9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
CID 58142028
2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum
CID 170529068
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 146663925
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
10,12-bis(2-methylphenyl)-6,16-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
CID 118219928

Frequently Asked Questions

What is the IUPAC name of 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide?
The IUPAC name of 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide (CID 135299826) is 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide.
What is the SMILES notation for 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide?
The canonical SMILES for 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide is Cc1oc2c(c1-c1ccccc1)P(=O)(C(C)C)c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide?
The InChIKey is FNCQZLSWFNUAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27O2P/c1-21(2)36(34)29-20-12-11-19-28(29)33(26-17-9-7-15-24(26)25-16-8-10-18-27(25)33)32-31(36)30(22(3)35-32)23-13-5-4-6-14-23/h4-21H,1-3H3.
What are the key properties of 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide?
2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide has a molecular weight of 486.55 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide is sourced from PubChem (CID 135299826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).