C32H38N4OV-2 — CID 171371012

IUPAC—
SMILESCCC1=C2C=c3[n-]c(c(CC)c3C)=CC3=C(CC)C(C)C(=Cc4[n-]c(c(CC)c4C)C=C([N-]2)C1C)[N-]3.O=[V+2]
InChIInChI=1S/C32H38N4.O.V/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25;;/h13-16,18-19H,9-12H2,1-8H3;;/q-4;;+2
InChIKeyVUWDMHSCGLGGPP-UHFFFAOYSA-N
MW545.63 g/mol
LogP6.55
Rot. Bonds4

About

(PubChem CID 171371012) has the molecular formula C32H38N4OV-2 and a molecular weight of 545.63 g/mol.

Molecular Properties

Compound Name
PubChem CID171371012
Molecular FormulaC32H38N4OV-2
Molecular Weight545.63 g/mol
Exact Mass545.25
IUPAC Name—
SMILESCCC1=C2C=c3[n-]c(c(CC)c3C)=CC3=C(CC)C(C)C(=Cc4[n-]c(c(CC)c4C)C=C([N-]2)C1C)[N-]3.O=[V+2]
InChIInChI=1S/C32H38N4.O.V/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25;;/h13-16,18-19H,9-12H2,1-8H3;;/q-4;;+2
InChIKeyVUWDMHSCGLGGPP-UHFFFAOYSA-N
XLogP6.55
TPSA73.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 171371012) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CCC1=C2C=c3[n-]c(c(CC)c3C)=CC3=C(CC)C(C)C(=Cc4[n-]c(c(CC)c4C)C=C([N-]2)C1C)[N-]3.O=[V+2].
What is the InChIKey of ?
The InChIKey is VUWDMHSCGLGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4.O.V/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25;;/h13-16,18-19H,9-12H2,1-8H3;;/q-4;;+2.
What are the key properties of ?
has a molecular weight of 545.63 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 171371012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).