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

C79H52N2 — CID 59236729

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

3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 59236729) has the molecular formula C79H52N2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is 3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
• PubChem CID: 59236729
• Molecular Formula: C79H52N2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.41
• IUPAC Name: 3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4ccccc34)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C79H52N2/c1-79(2)71-47-53(57-41-39-55(61-23-7-9-25-63(57)61)51-35-43-77-69(45-51)67-27-11-13-29-75(67)80(77)73-31-15-19-49-17-3-5-21-59(49)73)33-37-65(71)66-38-34-54(48-72(66)79)58-42-40-56(62-24-8-10-26-64(58)62)52-36-44-78-70(46-52)68-28-12-14-30-76(68)81(78)74-32-16-20-50-18-4-6-22-60(50)74/h3-48H,1-2H3
• InChIKey: IJUJKXWVAFORKY-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole (CID 59236729) is 3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole.

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

The canonical SMILES for 3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4ccccc34)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4ccccc34)cc21.

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

The InChIKey is IJUJKXWVAFORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2/c1-79(2)71-47-53(57-41-39-55(61-23-7-9-25-63(57)61)51-35-43-77-69(45-51)67-27-11-13-29-75(67)80(77)73-31-15-19-49-17-3-5-21-59(49)73)33-37-65(71)66-38-34-54(48-72(66)79)58-42-40-56(62-24-8-10-26-64(58)62)52-36-44-78-70(46-52)68-28-12-14-30-76(68)81(78)74-32-16-20-50-18-4-6-22-60(50)74/h3-48H,1-2H3.

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

3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 1029.30 g/mol, XLogP of 21.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 59236729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).