7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile

C43H35N5O — CID 155635884

About 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile

7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile (PubChem CID 155635884) has the molecular formula C43H35N5O and a molecular weight of 637.79 g/mol. Its IUPAC name is 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile
• PubChem CID: 155635884
• Molecular Formula: C43H35N5O
• Molecular Weight: 637.79 g/mol
• Exact Mass: 637.28
• IUPAC Name: 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile
• SMILES: Cc1cccc(C)c1-n1ccc2cc(-c3cccc(Oc4ccc5c6cc(C#N)ccc6n(-c6cc(CC(C)C)ccn6)c5c4)c3)ncc21
• InChI: InChI=1S/C43H35N5O/c1-27(2)19-30-15-17-45-42(21-30)48-39-14-11-31(25-44)20-37(39)36-13-12-35(24-40(36)48)49-34-10-6-9-32(22-34)38-23-33-16-18-47(41(33)26-46-38)43-28(3)7-5-8-29(43)4/h5-18,20-24,26-27H,19H2,1-4H3
• InChIKey: YMKDKQCTYXZDFD-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 68.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.79
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile?

The IUPAC name of 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile (CID 155635884) is 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile.

What is the SMILES notation for 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile?

The canonical SMILES for 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile is Cc1cccc(C)c1-n1ccc2cc(-c3cccc(Oc4ccc5c6cc(C#N)ccc6n(-c6cc(CC(C)C)ccn6)c5c4)c3)ncc21.

What is the InChIKey of 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile?

The InChIKey is YMKDKQCTYXZDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N5O/c1-27(2)19-30-15-17-45-42(21-30)48-39-14-11-31(25-44)20-37(39)36-13-12-35(24-40(36)48)49-34-10-6-9-32(22-34)38-23-33-16-18-47(41(33)26-46-38)43-28(3)7-5-8-29(43)4/h5-18,20-24,26-27H,19H2,1-4H3.

What are the key properties of 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile?

7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile has a molecular weight of 637.79 g/mol, XLogP of 10.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155635884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).