8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole

C54H40N2 — CID 130289398

About 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole

8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole (PubChem CID 130289398) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole.

Molecular Properties

• Compound Name: 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
• PubChem CID: 130289398
• Molecular Formula: C54H40N2
• Molecular Weight: 716.93 g/mol
• Exact Mass: 716.32
• IUPAC Name: 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)C(C)(C)c5ccccc5-7)ccc43)cc21
• InChI: InChI=1S/C54H40N2/c1-53(2)45-19-11-8-16-37(45)39-25-24-36(32-47(39)53)55-48-21-13-10-18-40(48)43-30-33(22-28-49(43)55)34-23-29-50-44(31-34)42-27-26-41-38-17-9-12-20-46(38)54(3,4)51(41)52(42)56(50)35-14-6-5-7-15-35/h5-32H,1-4H3
• InChIKey: FPWNBLKIWQHSEK-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.93
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?

The IUPAC name of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole (CID 130289398) is 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole.

What is the SMILES notation for 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?

The canonical SMILES for 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)C(C)(C)c5ccccc5-7)ccc43)cc21.

What is the InChIKey of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?

The InChIKey is FPWNBLKIWQHSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-53(2)45-19-11-8-16-37(45)39-25-24-36(32-47(39)53)55-48-21-13-10-18-40(48)43-30-33(22-28-49(43)55)34-23-29-50-44(31-34)42-27-26-41-38-17-9-12-20-46(38)54(3,4)51(41)52(42)56(50)35-14-6-5-7-15-35/h5-32H,1-4H3.

What are the key properties of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?

8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole has a molecular weight of 716.93 g/mol, XLogP of 14.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole is sourced from PubChem (CID 130289398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).