1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole

C48H30N8 — CID 90091005

About 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole

1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole (PubChem CID 90091005) has the molecular formula C48H30N8 and a molecular weight of 718.82 g/mol. Its IUPAC name is 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
• PubChem CID: 90091005
• Molecular Formula: C48H30N8
• Molecular Weight: 718.82 g/mol
• Exact Mass: 718.26
• IUPAC Name: 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
• SMILES: c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc(-c6cccnc6)nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)n5)c4c32)cc1
• InChI: InChI=1S/C48H30N8/c1-3-13-34(14-4-1)53-28-25-31-21-23-38-36-17-7-9-19-40(36)55(44(38)42(31)53)47-50-46(33-12-11-27-49-30-33)51-48(52-47)56-41-20-10-8-18-37(41)39-24-22-32-26-29-54(43(32)45(39)56)35-15-5-2-6-16-35/h1-30H
• InChIKey: BPKCCWSVEPGBKL-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.82
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole?

The IUPAC name of 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole (CID 90091005) is 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole.

What is the SMILES notation for 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole?

The canonical SMILES for 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole is c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc(-c6cccnc6)nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)n5)c4c32)cc1.

What is the InChIKey of 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole?

The InChIKey is BPKCCWSVEPGBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N8/c1-3-13-34(14-4-1)53-28-25-31-21-23-38-36-17-7-9-19-40(36)55(44(38)42(31)53)47-50-46(33-12-11-27-49-30-33)51-48(52-47)56-41-20-10-8-18-37(41)39-24-22-32-26-29-54(43(32)45(39)56)35-15-5-2-6-16-35/h1-30H.

What are the key properties of 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole?

1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole has a molecular weight of 718.82 g/mol, XLogP of 11.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-10-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90091005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).