CID 25223334

C48H34N4 — CID 25223334

IUPAC—
SMILES[C]1N(Cc2ccccc2)c2ccccc2N1c1ccc2ccccc2c1-c1c(N2[C]N(Cc3ccccc3)c3ccccc32)ccc2ccccc12
InChIInChI=1S/C48H34N4/c1-3-15-35(16-4-1)31-49-33-51(43-25-13-11-23-41(43)49)45-29-27-37-19-7-9-21-39(37)47(45)48-40-22-10-8-20-38(40)28-30-46(48)52-34-50(32-36-17-5-2-6-18-36)42-24-12-14-26-44(42)52/h1-30H,31-32H2
InChIKeyPAQIOXGVAFKRPR-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.97
Rot. Bonds7

About CID 25223334

CID 25223334 (PubChem CID 25223334) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol.

Molecular Properties

Compound NameCID 25223334
PubChem CID25223334
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name—
SMILES[C]1N(Cc2ccccc2)c2ccccc2N1c1ccc2ccccc2c1-c1c(N2[C]N(Cc3ccccc3)c3ccccc32)ccc2ccccc12
InChIInChI=1S/C48H34N4/c1-3-15-35(16-4-1)31-49-33-51(43-25-13-11-23-41(43)49)45-29-27-37-19-7-9-21-39(37)47(45)48-40-22-10-8-20-38(40)28-30-46(48)52-34-50(32-36-17-5-2-6-18-36)42-24-12-14-26-44(42)52/h1-30H,31-32H2
InChIKeyPAQIOXGVAFKRPR-UHFFFAOYSA-N
XLogP11.97
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 25223334?
The IUPAC name of CID 25223334 (CID 25223334) is not available.
What is the SMILES notation for CID 25223334?
The canonical SMILES for CID 25223334 is [C]1N(Cc2ccccc2)c2ccccc2N1c1ccc2ccccc2c1-c1c(N2[C]N(Cc3ccccc3)c3ccccc32)ccc2ccccc12.
What is the InChIKey of CID 25223334?
The InChIKey is PAQIOXGVAFKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-3-15-35(16-4-1)31-49-33-51(43-25-13-11-23-41(43)49)45-29-27-37-19-7-9-21-39(37)47(45)48-40-22-10-8-20-38(40)28-30-46(48)52-34-50(32-36-17-5-2-6-18-36)42-24-12-14-26-44(42)52/h1-30H,31-32H2.
What are the key properties of CID 25223334?
CID 25223334 has a molecular weight of 666.83 g/mol, XLogP of 11.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25223334 is sourced from PubChem (CID 25223334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).