(10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne

C32H22N2 — CID 126713256

About (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne

(10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne (PubChem CID 126713256) has the molecular formula C32H22N2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne.

Molecular Properties

• Compound Name: (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
• PubChem CID: 126713256
• Molecular Formula: C32H22N2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.18
• IUPAC Name: (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
• SMILES: C1#CC2/C=C\C=C/C1c1ccccc1N2c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C32H22N2/c1-2-11-24-21-20-23(10-1)27-14-3-6-17-30(27)33(24)25-12-9-13-26(22-25)34-31-18-7-4-15-28(31)29-16-5-8-19-32(29)34/h1-19,22-24H/b10-1-,11-2-
• InChIKey: COARLPRVFJAZQN-YMPPUAGISA-N
• XLogP: 7.52
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?

The IUPAC name of (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne (CID 126713256) is (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne.

What is the SMILES notation for (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?

The canonical SMILES for (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne is C1#CC2/C=C\C=C/C1c1ccccc1N2c1cccc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?

The InChIKey is COARLPRVFJAZQN-YMPPUAGISA-N. The full InChI is InChI=1S/C32H22N2/c1-2-11-24-21-20-23(10-1)27-14-3-6-17-30(27)33(24)25-12-9-13-26(22-25)34-31-18-7-4-15-28(31)29-16-5-8-19-32(29)34/h1-19,22-24H/b10-1-,11-2-.

What are the key properties of (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?

(10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne has a molecular weight of 434.54 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne is sourced from PubChem (CID 126713256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).