9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile

C42H29N5 — CID 167006494

About 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile

9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile (PubChem CID 167006494) has the molecular formula C42H29N5 and a molecular weight of 603.73 g/mol. Its IUPAC name is 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile
• PubChem CID: 167006494
• Molecular Formula: C42H29N5
• Molecular Weight: 603.73 g/mol
• Exact Mass: 603.24
• IUPAC Name: 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile
• SMILES: C=Cc1c(/C=C\C)c2ccccc2n1-c1nc(-c2ccccc2)c(-c2ccccc2)nc1-n1c2ccccc2c2cc(C#N)ccc21
• InChI: InChI=1S/C42H29N5/c1-3-15-31-32-20-11-13-22-36(32)46(35(31)4-2)41-42(47-37-23-14-12-21-33(37)34-26-28(27-43)24-25-38(34)47)45-40(30-18-9-6-10-19-30)39(44-41)29-16-7-5-8-17-29/h3-26H,2H2,1H3/b15-3-
• InChIKey: BVVWBLJYCBWHSI-CQPUUCJISA-N
• XLogP: 10.40
• TPSA: 59.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.73
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

The IUPAC name of 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile (CID 167006494) is 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile is C=Cc1c(/C=C\C)c2ccccc2n1-c1nc(-c2ccccc2)c(-c2ccccc2)nc1-n1c2ccccc2c2cc(C#N)ccc21.

What is the InChIKey of 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

The InChIKey is BVVWBLJYCBWHSI-CQPUUCJISA-N. The full InChI is InChI=1S/C42H29N5/c1-3-15-31-32-20-11-13-22-36(32)46(35(31)4-2)41-42(47-37-23-14-12-21-33(37)34-26-28(27-43)24-25-38(34)47)45-40(30-18-9-6-10-19-30)39(44-41)29-16-7-5-8-17-29/h3-26H,2H2,1H3/b15-3-.

What are the key properties of 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile has a molecular weight of 603.73 g/mol, XLogP of 10.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 167006494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).