6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

C100H62N4 — CID 137420798

About 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 137420798) has the molecular formula C100H62N4 and a molecular weight of 1319.62 g/mol. Its IUPAC name is 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 137420798
• Molecular Formula: C100H62N4
• Molecular Weight: 1319.62 g/mol
• Exact Mass: 1318.50
• IUPAC Name: 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10cccc%11ccccc%10%11)c%10ccccc9%10)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)ccc32)cc1
• InChI: InChI=1S/C100H62N4/c1-3-24-73(25-4-1)101-91-36-17-15-33-83(91)87-57-66(42-50-95(87)101)69-45-53-98-90(60-69)86-47-41-71(62-100(86)104(98)94-54-48-76(78-29-11-13-31-81(78)94)72-39-38-63-20-7-8-22-65(63)56-72)70-40-46-85-89-59-67(43-51-96(89)102(99(85)61-70)74-26-5-2-6-27-74)68-44-52-97-88(58-68)84-34-16-18-37-92(84)103(97)93-55-49-80(79-30-12-14-32-82(79)93)77-35-19-23-64-21-9-10-28-75(64)77/h1-62H
• InChIKey: SPDDLRBOTCUASL-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-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The IUPAC name of 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (CID 137420798) is 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The canonical SMILES for 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10cccc%11ccccc%10%11)c%10ccccc9%10)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)ccc32)cc1.

What is the InChIKey of 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

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

What are the key properties of 6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-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-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 137420798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).