9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile

C38H25N3S — CID 144923035

About 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile

9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile (PubChem CID 144923035) has the molecular formula C38H25N3S and a molecular weight of 555.71 g/mol. Its IUPAC name is 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile.

Molecular Properties

• Compound Name: 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile
• PubChem CID: 144923035
• Molecular Formula: C38H25N3S
• Molecular Weight: 555.71 g/mol
• Exact Mass: 555.18
• IUPAC Name: 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile
• SMILES: C=Cc1c(/C=C\C)c2ccccc2n1-c1cccc2sc3ccc(-n4c5ccccc5c5ccc(C#N)cc54)cc3c12
• InChI: InChI=1S/C38H25N3S/c1-3-10-26-27-11-6-8-14-33(27)41(31(26)4-2)34-15-9-16-37-38(34)30-22-25(18-20-36(30)42-37)40-32-13-7-5-12-28(32)29-19-17-24(23-39)21-35(29)40/h3-22H,2H2,1H3/b10-3-
• InChIKey: RAKLSFUTNRNGAZ-KMKOMSMNSA-N
• XLogP: 10.64
• TPSA: 33.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.71
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile (CID 144923035) is 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile.

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

The canonical SMILES for 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile is C=Cc1c(/C=C\C)c2ccccc2n1-c1cccc2sc3ccc(-n4c5ccccc5c5ccc(C#N)cc54)cc3c12.

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

The InChIKey is RAKLSFUTNRNGAZ-KMKOMSMNSA-N. The full InChI is InChI=1S/C38H25N3S/c1-3-10-26-27-11-6-8-14-33(27)41(31(26)4-2)34-15-9-16-37-38(34)30-22-25(18-20-36(30)42-37)40-32-13-7-5-12-28(32)29-19-17-24(23-39)21-35(29)40/h3-22H,2H2,1H3/b10-3-.

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

9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile has a molecular weight of 555.71 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile is sourced from PubChem (CID 144923035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).