2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum

C30H27OPt- — CID 170529068

IUPAC2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum
SMILESCC(C)c1[c-]c2c(o1)C1(c3ccccc3-c3ccccc31)c1ccccc1C2C(C)C.[Pt]
InChIInChI=1S/C30H27O.Pt/c1-18(2)27-17-23-28(19(3)4)22-13-7-10-16-26(22)30(29(23)31-27)24-14-8-5-11-20(24)21-12-6-9-15-25(21)30;/h5-16,18-19,28H,1-4H3;/q-1;
InChIKeyQBFKHBKUTROBMO-UHFFFAOYSA-N
MW598.62 g/mol
LogP7.67
Rot. Bonds2

About 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum

2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum (PubChem CID 170529068) has the molecular formula C30H27OPt- and a molecular weight of 598.62 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum.

Molecular Properties

Compound Name2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum
PubChem CID170529068
Molecular FormulaC30H27OPt-
Molecular Weight598.62 g/mol
Exact Mass598.17
IUPAC Name2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum
SMILESCC(C)c1[c-]c2c(o1)C1(c3ccccc3-c3ccccc31)c1ccccc1C2C(C)C.[Pt]
InChIInChI=1S/C30H27O.Pt/c1-18(2)27-17-23-28(19(3)4)22-13-7-10-16-26(22)30(29(23)31-27)24-14-8-5-11-20(24)21-12-6-9-15-25(21)30;/h5-16,18-19,28H,1-4H3;/q-1;
InChIKeyQBFKHBKUTROBMO-UHFFFAOYSA-N
XLogP7.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.62
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-methyl-10-phenyl-9-propan-2-yl-9H-anthracene
CID 176765593
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde
CID 175453260
4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine
CID 148962083
2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide
CID 135299826
9-(4-propan-2-ylphenyl)-9H-fluorene
CID 123721477
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785
spiro[4,4a-dihydrofluorene-9,9'-fluorene]
CID 154012789
9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene
CID 157296228
2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one
CID 164827511
9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
CID 58142028
6-propan-2-yl-6H-benzo[b][1]benzoxepin-5-one
CID 58780285

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum?
The IUPAC name of 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum (CID 170529068) is 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum.
What is the SMILES notation for 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum?
The canonical SMILES for 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum is CC(C)c1[c-]c2c(o1)C1(c3ccccc3-c3ccccc31)c1ccccc1C2C(C)C.[Pt].
What is the InChIKey of 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum?
The InChIKey is QBFKHBKUTROBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27O.Pt/c1-18(2)27-17-23-28(19(3)4)22-13-7-10-16-26(22)30(29(23)31-27)24-14-8-5-11-20(24)21-12-6-9-15-25(21)30;/h5-16,18-19,28H,1-4H3;/q-1;.
What are the key properties of 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum?
2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum has a molecular weight of 598.62 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum is sourced from PubChem (CID 170529068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).