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

C71H48N2 — CID 59236172

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

3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole (PubChem CID 59236172) has the molecular formula C71H48N2 and a molecular weight of 929.18 g/mol. Its IUPAC name is 3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
• PubChem CID: 59236172
• Molecular Formula: C71H48N2
• Molecular Weight: 929.18 g/mol
• Exact Mass: 928.38
• IUPAC Name: 3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cc21
• InChI: InChI=1S/C71H48N2/c1-71(2)65-43-47(53-37-35-51(55-21-9-11-23-57(53)55)45-31-39-69-63(41-45)61-25-13-15-27-67(61)72(69)49-17-5-3-6-18-49)29-33-59(65)60-34-30-48(44-66(60)71)54-38-36-52(56-22-10-12-24-58(54)56)46-32-40-70-64(42-46)62-26-14-16-28-68(62)73(70)50-19-7-4-8-20-50/h3-44H,1-2H3
• InChIKey: JGESCZLOJNZHMS-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.18
LogP ≤ 5	19.16
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-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole?

The IUPAC name of 3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole (CID 59236172) is 3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cc21.

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

The InChIKey is JGESCZLOJNZHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N2/c1-71(2)65-43-47(53-37-35-51(55-21-9-11-23-57(53)55)45-31-39-69-63(41-45)61-25-13-15-27-67(61)72(69)49-17-5-3-6-18-49)29-33-59(65)60-34-30-48(44-66(60)71)54-38-36-52(56-22-10-12-24-58(54)56)46-32-40-70-64(42-46)62-26-14-16-28-68(62)73(70)50-19-7-4-8-20-50/h3-44H,1-2H3.

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

3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole has a molecular weight of 929.18 g/mol, XLogP of 19.16, 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-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 59236172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).