CID 102199833

C34H24N5O6P3 — CID 102199833

IUPAC—
SMILESc1cncc(OP2(Oc3cccnc3)=NP3(=NP4(=N2)Oc2ccccc2-c2ccccc2O4)Oc2ccccc2-c2ccccc2O3)c1
InChIInChI=1S/C34H24N5O6P3/c1-5-17-31-27(13-1)28-14-2-6-18-32(28)43-47(42-31)37-46(40-25-11-9-21-35-23-25,41-26-12-10-22-36-24-26)38-48(39-47)44-33-19-7-3-15-29(33)30-16-4-8-20-34(30)45-48/h1-24H
InChIKeyIKUUMAHBLBPXTD-UHFFFAOYSA-N
MW691.52 g/mol
LogP11.06
Rot. Bonds4

About CID 102199833

CID 102199833 (PubChem CID 102199833) has the molecular formula C34H24N5O6P3 and a molecular weight of 691.52 g/mol.

Molecular Properties

Compound NameCID 102199833
PubChem CID102199833
Molecular FormulaC34H24N5O6P3
Molecular Weight691.52 g/mol
Exact Mass691.09
IUPAC Name—
SMILESc1cncc(OP2(Oc3cccnc3)=NP3(=NP4(=N2)Oc2ccccc2-c2ccccc2O4)Oc2ccccc2-c2ccccc2O3)c1
InChIInChI=1S/C34H24N5O6P3/c1-5-17-31-27(13-1)28-14-2-6-18-32(28)43-47(42-31)37-46(40-25-11-9-21-35-23-25,41-26-12-10-22-36-24-26)38-48(39-47)44-33-19-7-3-15-29(33)30-16-4-8-20-34(30)45-48/h1-24H
InChIKeyIKUUMAHBLBPXTD-UHFFFAOYSA-N
XLogP11.06
TPSA118.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500691.52
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 102199833?
The IUPAC name of CID 102199833 (CID 102199833) is not available.
What is the SMILES notation for CID 102199833?
The canonical SMILES for CID 102199833 is c1cncc(OP2(Oc3cccnc3)=NP3(=NP4(=N2)Oc2ccccc2-c2ccccc2O4)Oc2ccccc2-c2ccccc2O3)c1.
What is the InChIKey of CID 102199833?
The InChIKey is IKUUMAHBLBPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N5O6P3/c1-5-17-31-27(13-1)28-14-2-6-18-32(28)43-47(42-31)37-46(40-25-11-9-21-35-23-25,41-26-12-10-22-36-24-26)38-48(39-47)44-33-19-7-3-15-29(33)30-16-4-8-20-34(30)45-48/h1-24H.
What are the key properties of CID 102199833?
CID 102199833 has a molecular weight of 691.52 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102199833 is sourced from PubChem (CID 102199833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).