(2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]

C50H42O2P2 — CID 134550587

IUPAC(2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc2C2CC[C@@H](P(=O)(c3ccccc3)c3ccccc3)CC21
InChIInChI=1S/C50H42O2P2/c1-35-26-29-43-42-24-14-15-25-46(42)50(47(43)32-35)48-33-40(53(51,36-16-6-2-7-17-36)37-18-8-3-9-19-37)27-30-44(48)45-31-28-41(34-49(45)50)54(52,38-20-10-4-11-21-38)39-22-12-5-13-23-39/h2-27,29-30,32-33,41,45,49H,28,31,34H2,1H3/t41-,45?,49?,50?/m1/s1
InChIKeyJNVSMSCHZLXYQD-YEIOJCIKSA-N
MW736.83 g/mol
LogP10.23
Rot. Bonds6

About (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]

(2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] (PubChem CID 134550587) has the molecular formula C50H42O2P2 and a molecular weight of 736.83 g/mol. Its IUPAC name is (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene].

Molecular Properties

Compound Name(2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]
PubChem CID134550587
Molecular FormulaC50H42O2P2
Molecular Weight736.83 g/mol
Exact Mass736.27
IUPAC Name(2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc2C2CC[C@@H](P(=O)(c3ccccc3)c3ccccc3)CC21
InChIInChI=1S/C50H42O2P2/c1-35-26-29-43-42-24-14-15-25-46(42)50(47(43)32-35)48-33-40(53(51,36-16-6-2-7-17-36)37-18-8-3-9-19-37)27-30-44(48)45-31-28-41(34-49(45)50)54(52,38-20-10-4-11-21-38)39-22-12-5-13-23-39/h2-27,29-30,32-33,41,45,49H,28,31,34H2,1H3/t41-,45?,49?,50?/m1/s1
InChIKeyJNVSMSCHZLXYQD-YEIOJCIKSA-N
XLogP10.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.83
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
The IUPAC name of (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] (CID 134550587) is (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene].
What is the SMILES notation for (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
The canonical SMILES for (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] is Cc1ccc2c(c1)C1(c3ccccc3-2)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc2C2CC[C@@H](P(=O)(c3ccccc3)c3ccccc3)CC21.
What is the InChIKey of (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
The InChIKey is JNVSMSCHZLXYQD-YEIOJCIKSA-N. The full InChI is InChI=1S/C50H42O2P2/c1-35-26-29-43-42-24-14-15-25-46(42)50(47(43)32-35)48-33-40(53(51,36-16-6-2-7-17-36)37-18-8-3-9-19-37)27-30-44(48)45-31-28-41(34-49(45)50)54(52,38-20-10-4-11-21-38)39-22-12-5-13-23-39/h2-27,29-30,32-33,41,45,49H,28,31,34H2,1H3/t41-,45?,49?,50?/m1/s1.
What are the key properties of (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
(2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] has a molecular weight of 736.83 g/mol, XLogP of 10.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] is sourced from PubChem (CID 134550587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).