CID 73212099

C32H36B2P2 — CID 73212099

IUPAC—
SMILESCc1ccc(P(c2ccc(C)cc2)[C@@H](C)[C@H](C)P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[B].[B]
InChIInChI=1S/C32H36P2.2B/c1-23-7-15-29(16-8-23)33(30-17-9-24(2)10-18-30)27(5)28(6)34(31-19-11-25(3)12-20-31)32-21-13-26(4)14-22-32;;/h7-22,27-28H,1-6H3;;/t27-,28-;;/m0../s1
InChIKeyNMOHCCKFUNBRFJ-QLBXQKMFSA-N
MW504.21 g/mol
LogP6.50
Rot. Bonds7

About CID 73212099

CID 73212099 (PubChem CID 73212099) has the molecular formula C32H36B2P2 and a molecular weight of 504.21 g/mol.

Molecular Properties

Compound NameCID 73212099
PubChem CID73212099
Molecular FormulaC32H36B2P2
Molecular Weight504.21 g/mol
Exact Mass504.25
IUPAC Name—
SMILESCc1ccc(P(c2ccc(C)cc2)[C@@H](C)[C@H](C)P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[B].[B]
InChIInChI=1S/C32H36P2.2B/c1-23-7-15-29(16-8-23)33(30-17-9-24(2)10-18-30)27(5)28(6)34(31-19-11-25(3)12-20-31)32-21-13-26(4)14-22-32;;/h7-22,27-28H,1-6H3;;/t27-,28-;;/m0../s1
InChIKeyNMOHCCKFUNBRFJ-QLBXQKMFSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.21
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 73212099?
The IUPAC name of CID 73212099 (CID 73212099) is not available.
What is the SMILES notation for CID 73212099?
The canonical SMILES for CID 73212099 is Cc1ccc(P(c2ccc(C)cc2)[C@@H](C)[C@H](C)P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[B].[B].
What is the InChIKey of CID 73212099?
The InChIKey is NMOHCCKFUNBRFJ-QLBXQKMFSA-N. The full InChI is InChI=1S/C32H36P2.2B/c1-23-7-15-29(16-8-23)33(30-17-9-24(2)10-18-30)27(5)28(6)34(31-19-11-25(3)12-20-31)32-21-13-26(4)14-22-32;;/h7-22,27-28H,1-6H3;;/t27-,28-;;/m0../s1.
What are the key properties of CID 73212099?
CID 73212099 has a molecular weight of 504.21 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73212099 is sourced from PubChem (CID 73212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).