CID 134992494

C39H43P2 — CID 134992494

IUPAC—
SMILESCc1cc(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C39H43P2/c1-25-13-26(2)18-34(17-25)40(35-19-27(3)14-28(4)20-35)33(9)38-11-10-12-39(38)41(36-21-29(5)15-30(6)22-36)37-23-31(7)16-32(8)24-37/h10-24,33H,1-9H3/t33-/m1/s1
InChIKeyAXMCIQVSGSRGER-MGBGTMOVSA-N
MW573.72 g/mol
LogP8.84
Rot. Bonds7

About CID 134992494

CID 134992494 (PubChem CID 134992494) has the molecular formula C39H43P2 and a molecular weight of 573.72 g/mol.

Molecular Properties

Compound NameCID 134992494
PubChem CID134992494
Molecular FormulaC39H43P2
Molecular Weight573.72 g/mol
Exact Mass573.28
IUPAC Name—
SMILESCc1cc(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C39H43P2/c1-25-13-26(2)18-34(17-25)40(35-19-27(3)14-28(4)20-35)33(9)38-11-10-12-39(38)41(36-21-29(5)15-30(6)22-36)37-23-31(7)16-32(8)24-37/h10-24,33H,1-9H3/t33-/m1/s1
InChIKeyAXMCIQVSGSRGER-MGBGTMOVSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.72
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134992494?
The IUPAC name of CID 134992494 (CID 134992494) is not available.
What is the SMILES notation for CID 134992494?
The canonical SMILES for CID 134992494 is Cc1cc(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of CID 134992494?
The InChIKey is AXMCIQVSGSRGER-MGBGTMOVSA-N. The full InChI is InChI=1S/C39H43P2/c1-25-13-26(2)18-34(17-25)40(35-19-27(3)14-28(4)20-35)33(9)38-11-10-12-39(38)41(36-21-29(5)15-30(6)22-36)37-23-31(7)16-32(8)24-37/h10-24,33H,1-9H3/t33-/m1/s1.
What are the key properties of CID 134992494?
CID 134992494 has a molecular weight of 573.72 g/mol, XLogP of 8.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134992494 is sourced from PubChem (CID 134992494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).