5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile

C25H19N5 — CID 4197826

IUPAC5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile
SMILESCn1c2ccccc2c2cc(C3C4CCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21
InChIInChI=1S/C25H19N5/c1-30-21-8-3-2-5-17(21)19-11-15(9-10-22(19)30)23-18-7-4-6-16(18)20(12-26)24(29)25(23,13-27)14-28/h2-3,5-6,8-11,18,23H,4,7,29H2,1H3
InChIKeySUXMTDFHBNMSGN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.54
Rot. Bonds1

About 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile

5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile (PubChem CID 4197826) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile.

Molecular Properties

Compound Name5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile
PubChem CID4197826
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC Name5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile
SMILESCn1c2ccccc2c2cc(C3C4CCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21
InChIInChI=1S/C25H19N5/c1-30-21-8-3-2-5-17(21)19-11-15(9-10-22(19)30)23-18-7-4-6-16(18)20(12-26)24(29)25(23,13-27)14-28/h2-3,5-6,8-11,18,23H,4,7,29H2,1H3
InChIKeySUXMTDFHBNMSGN-UHFFFAOYSA-N
XLogP4.54
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_ene_amine_A(56)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile?
The IUPAC name of 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile (CID 4197826) is 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile.
What is the SMILES notation for 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile?
The canonical SMILES for 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile is Cn1c2ccccc2c2cc(C3C4CCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21.
What is the InChIKey of 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile?
The InChIKey is SUXMTDFHBNMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-30-21-8-3-2-5-17(21)19-11-15(9-10-22(19)30)23-18-7-4-6-16(18)20(12-26)24(29)25(23,13-27)14-28/h2-3,5-6,8-11,18,23H,4,7,29H2,1H3.
What are the key properties of 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile?
5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile has a molecular weight of 389.46 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(9-methylcarbazol-3-yl)-1,2,7,7a-tetrahydroindene-4,6,6-tricarbonitrile is sourced from PubChem (CID 4197826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).