6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

C100H62N4 — CID 137420566

About 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 137420566) has the molecular formula C100H62N4 and a molecular weight of 1319.62 g/mol. Its IUPAC name is 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 137420566
• Molecular Formula: C100H62N4
• Molecular Weight: 1319.62 g/mol
• Exact Mass: 1318.50
• IUPAC Name: 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10cc(-c%11cccc%12ccccc%11%12)ccc%10c9)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc32)cc1
• InChI: InChI=1S/C100H62N4/c1-3-20-79(21-4-1)101-93-28-13-11-25-85(93)89-57-72(40-48-95(89)101)75-43-51-98-92(60-75)88-47-39-77(62-100(88)104(98)82-45-36-68-53-67(32-33-70(68)56-82)66-31-30-63-16-7-8-18-65(63)52-66)76-38-46-87-91-59-74(41-49-96(91)102(99(87)61-76)80-22-5-2-6-23-80)73-42-50-97-90(58-73)86-26-12-14-29-94(86)103(97)81-44-37-69-54-78(35-34-71(69)55-81)84-27-15-19-64-17-9-10-24-83(64)84/h1-62H
• InChIKey: KIICFEVMXHYPRF-UHFFFAOYSA-N
• XLogP: 27.02
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1319.62
LogP ≤ 5	27.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The IUPAC name of 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (CID 137420566) is 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The canonical SMILES for 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10cc(-c%11cccc%12ccccc%11%12)ccc%10c9)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc32)cc1.

What is the InChIKey of 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The InChIKey is KIICFEVMXHYPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H62N4/c1-3-20-79(21-4-1)101-93-28-13-11-25-85(93)89-57-72(40-48-95(89)101)75-43-51-98-92(60-75)88-47-39-77(62-100(88)104(98)82-45-36-68-53-67(32-33-70(68)56-82)66-31-30-63-16-7-8-18-65(63)52-66)76-38-46-87-91-59-74(41-49-96(91)102(99(87)61-76)80-22-5-2-6-23-80)73-42-50-97-90(58-73)86-26-12-14-29-94(86)103(97)81-44-37-69-54-78(35-34-71(69)55-81)84-27-15-19-64-17-9-10-24-83(64)84/h1-62H.

What are the key properties of 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 1319.62 g/mol, XLogP of 27.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 137420566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).