3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

C64H48N2 — CID 137420875

About 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 137420875) has the molecular formula C64H48N2 and a molecular weight of 845.10 g/mol. Its IUPAC name is 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
• PubChem CID: 137420875
• Molecular Formula: C64H48N2
• Molecular Weight: 845.10 g/mol
• Exact Mass: 844.38
• IUPAC Name: 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
• SMILES: CC1(C)C2=C(C=CC(c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3ccc4ccccc4c3)C2)c2ccccc21
• InChI: InChI=1S/C64H48N2/c1-63(2)55-18-10-7-15-47(55)49-28-22-44(37-57(49)63)43-25-32-62-54(36-43)53-35-42(24-31-61(53)65(62)45-26-21-39-13-5-6-14-40(39)33-45)41-23-30-60-52(34-41)51-17-9-12-20-59(51)66(60)46-27-29-50-48-16-8-11-19-56(48)64(3,4)58(50)38-46/h5-36,38,44H,37H2,1-4H3
• InChIKey: SDDUMELPVQJHRO-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.10
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

The IUPAC name of 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (CID 137420875) is 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.

What is the SMILES notation for 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

The canonical SMILES for 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is CC1(C)C2=C(C=CC(c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3ccc4ccccc4c3)C2)c2ccccc21.

What is the InChIKey of 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

The InChIKey is SDDUMELPVQJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2/c1-63(2)55-18-10-7-15-47(55)49-28-22-44(37-57(49)63)43-25-32-62-54(36-43)53-35-42(24-31-61(53)65(62)45-26-21-39-13-5-6-14-40(39)33-45)41-23-30-60-52(34-41)51-17-9-12-20-59(51)66(60)46-27-29-50-48-16-8-11-19-56(48)64(3,4)58(50)38-46/h5-36,38,44H,37H2,1-4H3.

What are the key properties of 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 845.10 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 137420875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).