CID 134553967

C56H35N3O — CID 134553967

IUPAC—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cccc4c2N2c5c(cccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5cccc3c52)O4)cc1
InChIInChI=1S/C56H35N3O/c1-3-18-36(19-4-1)57-46-30-11-7-22-38(46)55(39-23-8-12-31-47(39)57)42-26-15-27-43-52(42)59-53-44(55)28-16-34-50(53)60-51-35-17-29-45(54(51)59)56(43)40-24-9-13-32-48(40)58(37-20-5-2-6-21-37)49-33-14-10-25-41(49)56/h1-35H
InChIKeyKZBSUCCFSAEKFP-UHFFFAOYSA-N
MW765.92 g/mol
LogP14.22
Rot. Bonds2

About CID 134553967

CID 134553967 (PubChem CID 134553967) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol.

Molecular Properties

Compound NameCID 134553967
PubChem CID134553967
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cccc4c2N2c5c(cccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5cccc3c52)O4)cc1
InChIInChI=1S/C56H35N3O/c1-3-18-36(19-4-1)57-46-30-11-7-22-38(46)55(39-23-8-12-31-47(39)57)42-26-15-27-43-52(42)59-53-44(55)28-16-34-50(53)60-51-35-17-29-45(54(51)59)56(43)40-24-9-13-32-48(40)58(37-20-5-2-6-21-37)49-33-14-10-25-41(49)56/h1-35H
InChIKeyKZBSUCCFSAEKFP-UHFFFAOYSA-N
XLogP14.22
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 134553967?
The IUPAC name of CID 134553967 (CID 134553967) is not available.
What is the SMILES notation for CID 134553967?
The canonical SMILES for CID 134553967 is c1ccc(N2c3ccccc3C3(c4ccccc42)c2cccc4c2N2c5c(cccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5cccc3c52)O4)cc1.
What is the InChIKey of CID 134553967?
The InChIKey is KZBSUCCFSAEKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-3-18-36(19-4-1)57-46-30-11-7-22-38(46)55(39-23-8-12-31-47(39)57)42-26-15-27-43-52(42)59-53-44(55)28-16-34-50(53)60-51-35-17-29-45(54(51)59)56(43)40-24-9-13-32-48(40)58(37-20-5-2-6-21-37)49-33-14-10-25-41(49)56/h1-35H.
What are the key properties of CID 134553967?
CID 134553967 has a molecular weight of 765.92 g/mol, XLogP of 14.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134553967 is sourced from PubChem (CID 134553967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).