6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline

C78H47N9 — CID 158570613

About 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline

6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline (PubChem CID 158570613) has the molecular formula C78H47N9 and a molecular weight of 1110.30 g/mol. Its IUPAC name is 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline.

Molecular Properties

• Compound Name: 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline
• PubChem CID: 158570613
• Molecular Formula: C78H47N9
• Molecular Weight: 1110.30 g/mol
• Exact Mass: 1109.40
• IUPAC Name: 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline
• SMILES: [C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-c2ccccc2)nn2cc3ccccc3cc12.c1ccc(-c2nn3cc4ccccc4cc3c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C47H30N4.C31H17N5/c1-3-13-31(14-4-1)46-47(45-29-32-15-7-8-16-35(32)30-49(45)48-46)51-42-22-12-10-20-38(42)40-28-34(24-26-44(40)51)33-23-25-43-39(27-33)37-19-9-11-21-41(37)50(43)36-17-5-2-6-18-36;1-33-24-12-14-28-26(17-24)25-15-20(18-32)11-13-27(25)36(28)31-29-16-22-9-5-6-10-23(22)19-35(29)34-30(31)21-7-3-2-4-8-21/h1-30H;2-17,19H
• InChIKey: HSAKSRQAHOPLRX-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 77.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.30
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline?

The IUPAC name of 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline (CID 158570613) is 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline.

What is the SMILES notation for 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline?

The canonical SMILES for 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline is [C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-c2ccccc2)nn2cc3ccccc3cc12.c1ccc(-c2nn3cc4ccccc4cc3c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline?

The InChIKey is HSAKSRQAHOPLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4.C31H17N5/c1-3-13-31(14-4-1)46-47(45-29-32-15-7-8-16-35(32)30-49(45)48-46)51-42-22-12-10-20-38(42)40-28-34(24-26-44(40)51)33-23-25-43-39(27-33)37-19-9-11-21-41(37)50(43)36-17-5-2-6-18-36;1-33-24-12-14-28-26(17-24)25-15-20(18-32)11-13-27(25)36(28)31-29-16-22-9-5-6-10-23(22)19-35(29)34-30(31)21-7-3-2-4-8-21/h1-30H;2-17,19H.

What are the key properties of 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline?

6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline has a molecular weight of 1110.30 g/mol, XLogP of 19.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline is sourced from PubChem (CID 158570613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).