11-methyltriphenylene-2,3,6,7,10-pentamine

C19H19N5 — CID 126681989

IUPAC11-methyltriphenylene-2,3,6,7,10-pentamine
SMILESCc1cc2c(cc1N)c1cc(N)c(N)cc1c1cc(N)c(N)cc21
InChIInChI=1S/C19H19N5/c1-8-2-9-10(3-15(8)20)12-5-17(22)19(24)7-14(12)13-6-18(23)16(21)4-11(9)13/h2-7H,20-24H2,1H3
InChIKeyVBFYRKVGNBQMAI-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.37
Rot. Bonds

About 11-methyltriphenylene-2,3,6,7,10-pentamine

11-methyltriphenylene-2,3,6,7,10-pentamine (PubChem CID 126681989) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 11-methyltriphenylene-2,3,6,7,10-pentamine.

Molecular Properties

Compound Name11-methyltriphenylene-2,3,6,7,10-pentamine
PubChem CID126681989
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name11-methyltriphenylene-2,3,6,7,10-pentamine
SMILESCc1cc2c(cc1N)c1cc(N)c(N)cc1c1cc(N)c(N)cc21
InChIInChI=1S/C19H19N5/c1-8-2-9-10(3-15(8)20)12-5-17(22)19(24)7-14(12)13-6-18(23)16(21)4-11(9)13/h2-7H,20-24H2,1H3
InChIKeyVBFYRKVGNBQMAI-UHFFFAOYSA-N
XLogP3.37
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-methyltriphenylene-2,3,6,7,10-pentamine?
The IUPAC name of 11-methyltriphenylene-2,3,6,7,10-pentamine (CID 126681989) is 11-methyltriphenylene-2,3,6,7,10-pentamine.
What is the SMILES notation for 11-methyltriphenylene-2,3,6,7,10-pentamine?
The canonical SMILES for 11-methyltriphenylene-2,3,6,7,10-pentamine is Cc1cc2c(cc1N)c1cc(N)c(N)cc1c1cc(N)c(N)cc21.
What is the InChIKey of 11-methyltriphenylene-2,3,6,7,10-pentamine?
The InChIKey is VBFYRKVGNBQMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-8-2-9-10(3-15(8)20)12-5-17(22)19(24)7-14(12)13-6-18(23)16(21)4-11(9)13/h2-7H,20-24H2,1H3.
What are the key properties of 11-methyltriphenylene-2,3,6,7,10-pentamine?
11-methyltriphenylene-2,3,6,7,10-pentamine has a molecular weight of 317.40 g/mol, XLogP of 3.37, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyltriphenylene-2,3,6,7,10-pentamine is sourced from PubChem (CID 126681989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).