3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole

C76H54N2 — CID 59236669

About 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole

3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 59236669) has the molecular formula C76H54N2 and a molecular weight of 995.28 g/mol. Its IUPAC name is 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
• PubChem CID: 59236669
• Molecular Formula: C76H54N2
• Molecular Weight: 995.28 g/mol
• Exact Mass: 994.43
• IUPAC Name: 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)cc21
• InChI: InChI=1S/C76H54N2/c1-75(2)66-43-52(48-27-25-47(26-28-48)50-33-39-73-64(41-50)62-20-10-12-22-71(62)77(73)56-17-6-5-7-18-56)29-35-58(66)60-37-31-54(45-68(60)75)55-32-38-61-59-36-30-53(44-67(59)76(3,4)69(61)46-55)51-34-40-74-65(42-51)63-21-11-13-23-72(63)78(74)70-24-14-16-49-15-8-9-19-57(49)70/h5-46H,1-4H3
• InChIKey: CRIQGEMUESVTGY-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.28
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole?

The IUPAC name of 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole (CID 59236669) is 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole.

What is the SMILES notation for 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole?

The canonical SMILES for 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)cc21.

What is the InChIKey of 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole?

The InChIKey is CRIQGEMUESVTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N2/c1-75(2)66-43-52(48-27-25-47(26-28-48)50-33-39-73-64(41-50)62-20-10-12-22-71(62)77(73)56-17-6-5-7-18-56)29-35-58(66)60-37-31-54(45-68(60)75)55-32-38-61-59-36-30-53(44-67(59)76(3,4)69(61)46-55)51-34-40-74-65(42-51)63-21-11-13-23-72(63)78(74)70-24-14-16-49-15-8-9-19-57(49)70/h5-46H,1-4H3.

What are the key properties of 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole?

3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 995.28 g/mol, XLogP of 20.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59236669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).