CID 177432688

C30H37N3 — CID 177432688

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(C23CC4CC(CC(C4)C2)C3)N=C1c1ccccc1
InChIInChI=1S/C30H37N3/c1-20(2)26-11-8-12-27(21(3)4)28(26)32-19-33(31-29(32)25-9-6-5-7-10-25)30-16-22-13-23(17-30)15-24(14-22)18-30/h5-12,20-24H,13-18H2,1-4H3
InChIKeyNPSJOVFMDBSVOG-UHFFFAOYSA-N
MW439.65 g/mol
LogP7.38
Rot. Bonds5

About CID 177432688

CID 177432688 (PubChem CID 177432688) has the molecular formula C30H37N3 and a molecular weight of 439.65 g/mol.

Molecular Properties

Compound NameCID 177432688
PubChem CID177432688
Molecular FormulaC30H37N3
Molecular Weight439.65 g/mol
Exact Mass439.30
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(C23CC4CC(CC(C4)C2)C3)N=C1c1ccccc1
InChIInChI=1S/C30H37N3/c1-20(2)26-11-8-12-27(21(3)4)28(26)32-19-33(31-29(32)25-9-6-5-7-10-25)30-16-22-13-23(17-30)15-24(14-22)18-30/h5-12,20-24H,13-18H2,1-4H3
InChIKeyNPSJOVFMDBSVOG-UHFFFAOYSA-N
XLogP7.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.65
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 177432688?
The IUPAC name of CID 177432688 (CID 177432688) is not available.
What is the SMILES notation for CID 177432688?
The canonical SMILES for CID 177432688 is CC(C)c1cccc(C(C)C)c1N1[C]N(C23CC4CC(CC(C4)C2)C3)N=C1c1ccccc1.
What is the InChIKey of CID 177432688?
The InChIKey is NPSJOVFMDBSVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3/c1-20(2)26-11-8-12-27(21(3)4)28(26)32-19-33(31-29(32)25-9-6-5-7-10-25)30-16-22-13-23(17-30)15-24(14-22)18-30/h5-12,20-24H,13-18H2,1-4H3.
What are the key properties of CID 177432688?
CID 177432688 has a molecular weight of 439.65 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177432688 is sourced from PubChem (CID 177432688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).