3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

C108H72N4 — CID 157226629

About 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 157226629) has the molecular formula C108H72N4 and a molecular weight of 1425.79 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
• PubChem CID: 157226629
• Molecular Formula: C108H72N4
• Molecular Weight: 1425.79 g/mol
• Exact Mass: 1424.58
• IUPAC Name: 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc54)cc32)cc1
• InChI: InChI=1S/C59H38N2.C49H34N2/c1-3-17-43(18-4-1)59(44-19-5-2-6-20-44)53-24-12-9-21-47(53)48-32-31-46(38-54(48)59)61-56-26-14-11-23-50(56)52-37-42(29-34-58(52)61)41-28-33-57-51(36-41)49-22-10-13-25-55(49)60(57)45-30-27-39-15-7-8-16-40(39)35-45;1-49(2)43-16-8-5-13-37(43)38-24-23-36(30-44(38)49)51-46-18-10-7-15-40(46)42-29-34(21-26-48(42)51)33-20-25-47-41(28-33)39-14-6-9-17-45(39)50(47)35-22-19-31-11-3-4-12-32(31)27-35/h1-38H;3-30H,1-2H3
• InChIKey: ATPNQGTXGBMLMV-UHFFFAOYSA-N
• XLogP: 28.07
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.79
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

The IUPAC name of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (CID 157226629) is 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.

What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

The canonical SMILES for 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc54)cc32)cc1.

What is the InChIKey of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

The InChIKey is ATPNQGTXGBMLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2.C49H34N2/c1-3-17-43(18-4-1)59(44-19-5-2-6-20-44)53-24-12-9-21-47(53)48-32-31-46(38-54(48)59)61-56-26-14-11-23-50(56)52-37-42(29-34-58(52)61)41-28-33-57-51(36-41)49-22-10-13-25-55(49)60(57)45-30-27-39-15-7-8-16-40(39)35-45;1-49(2)43-16-8-5-13-37(43)38-24-23-36(30-44(38)49)51-46-18-10-7-15-40(46)42-29-34(21-26-48(42)51)33-20-25-47-41(28-33)39-14-6-9-17-45(39)50(47)35-22-19-31-11-3-4-12-32(31)27-35/h1-38H;3-30H,1-2H3.

What are the key properties of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 1425.79 g/mol, XLogP of 28.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 157226629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).