2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol

C50H34O — CID 102443585

IUPAC2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol
SMILESOC1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2C12c1cc(-c3ccccc3)ccc1-c1ccc(-c3ccccc3)cc12
InChIInChI=1S/C50H34O/c51-49-45-29-37(33-13-5-1-6-14-33)21-25-41(45)42-26-22-38(34-15-7-2-8-16-34)30-46(42)50(49)47-31-39(35-17-9-3-10-18-35)23-27-43(47)44-28-24-40(32-48(44)50)36-19-11-4-12-20-36/h1-32,49,51H
InChIKeyLNMQBLSQPDPMGD-UHFFFAOYSA-N
MW650.82 g/mol
LogP12.38
Rot. Bonds4

About 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol

2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol (PubChem CID 102443585) has the molecular formula C50H34O and a molecular weight of 650.82 g/mol. Its IUPAC name is 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol.

Molecular Properties

Compound Name2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol
PubChem CID102443585
Molecular FormulaC50H34O
Molecular Weight650.82 g/mol
Exact Mass650.26
IUPAC Name2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol
SMILESOC1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2C12c1cc(-c3ccccc3)ccc1-c1ccc(-c3ccccc3)cc12
InChIInChI=1S/C50H34O/c51-49-45-29-37(33-13-5-1-6-14-33)21-25-41(45)42-26-22-38(34-15-7-2-8-16-34)30-46(42)50(49)47-31-39(35-17-9-3-10-18-35)23-27-43(47)44-28-24-40(32-48(44)50)36-19-11-4-12-20-36/h1-32,49,51H
InChIKeyLNMQBLSQPDPMGD-UHFFFAOYSA-N
XLogP12.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.82
LogP ≤ 512.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol?
The IUPAC name of 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol (CID 102443585) is 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol.
What is the SMILES notation for 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol?
The canonical SMILES for 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol is OC1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2C12c1cc(-c3ccccc3)ccc1-c1ccc(-c3ccccc3)cc12.
What is the InChIKey of 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol?
The InChIKey is LNMQBLSQPDPMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34O/c51-49-45-29-37(33-13-5-1-6-14-33)21-25-41(45)42-26-22-38(34-15-7-2-8-16-34)30-46(42)50(49)47-31-39(35-17-9-3-10-18-35)23-27-43(47)44-28-24-40(32-48(44)50)36-19-11-4-12-20-36/h1-32,49,51H.
What are the key properties of 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol?
2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol has a molecular weight of 650.82 g/mol, XLogP of 12.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol is sourced from PubChem (CID 102443585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).