9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole

C68H48N2 — CID 59236649

About 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole

9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole (PubChem CID 59236649) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
• PubChem CID: 59236649
• Molecular Formula: C68H48N2
• Molecular Weight: 893.15 g/mol
• Exact Mass: 892.38
• IUPAC Name: 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc4c(c2)c2ccccc2n4-c2ccc4ccccc4c2)cc1C3(C)C
• InChI: InChI=1S/C68H48N2/c1-67(2)59-37-47(45-25-31-65-57(35-45)53-17-9-11-19-63(53)69(65)49-27-21-41-13-5-7-15-43(41)33-49)23-29-51(59)55-40-62-56(39-61(55)67)52-30-24-48(38-60(52)68(62,3)4)46-26-32-66-58(36-46)54-18-10-12-20-64(54)70(66)50-28-22-42-14-6-8-16-44(42)34-50/h5-40H,1-4H3
• InChIKey: UZJURMJEHDPPDY-UHFFFAOYSA-N
• XLogP: 18.13
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.15
LogP ≤ 5	18.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole?

The IUPAC name of 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole (CID 59236649) is 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole.

What is the SMILES notation for 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole?

The canonical SMILES for 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc4c(c2)c2ccccc2n4-c2ccc4ccccc4c2)cc1C3(C)C.

What is the InChIKey of 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole?

The InChIKey is UZJURMJEHDPPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-67(2)59-37-47(45-25-31-65-57(35-45)53-17-9-11-19-63(53)69(65)49-27-21-41-13-5-7-15-43(41)33-49)23-29-51(59)55-40-62-56(39-61(55)67)52-30-24-48(38-60(52)68(62,3)4)46-26-32-66-58(36-46)54-18-10-12-20-64(54)70(66)50-28-22-42-14-6-8-16-44(42)34-50/h5-40H,1-4H3.

What are the key properties of 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole?

9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole has a molecular weight of 893.15 g/mol, XLogP of 18.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole is sourced from PubChem (CID 59236649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).