3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole

C74H52N2 — CID 59236166

About 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole

3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 59236166) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

• Compound Name: 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
• PubChem CID: 59236166
• Molecular Formula: C74H52N2
• Molecular Weight: 969.24 g/mol
• Exact Mass: 968.41
• IUPAC Name: 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21
• InChI: InChI=1S/C74H52N2/c1-73(2)63-41-49(47-31-37-71-61(39-47)59-21-9-11-23-69(59)75(71)67-25-13-17-45-15-5-7-19-53(45)67)27-33-55(63)57-35-29-51(43-65(57)73)52-30-36-58-56-34-28-50(42-64(56)74(3,4)66(58)44-52)48-32-38-72-62(40-48)60-22-10-12-24-70(60)76(72)68-26-14-18-46-16-6-8-20-54(46)68/h5-44H,1-4H3
• InChIKey: FZBDWPXGWNJXNE-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.24
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole?

The IUPAC name of 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole (CID 59236166) is 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole.

What is the SMILES notation for 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole?

The canonical SMILES for 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21.

What is the InChIKey of 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole?

The InChIKey is FZBDWPXGWNJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-73(2)63-41-49(47-31-37-71-61(39-47)59-21-9-11-23-69(59)75(71)67-25-13-17-45-15-5-7-19-53(45)67)27-33-55(63)57-35-29-51(43-65(57)73)52-30-36-58-56-34-28-50(42-64(56)74(3,4)66(58)44-52)48-32-38-72-62(40-48)60-22-10-12-24-70(60)76(72)68-26-14-18-46-16-6-8-20-54(46)68/h5-44H,1-4H3.

What are the key properties of 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole?

3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 969.24 g/mol, XLogP of 19.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 59236166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).