1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole

C94H59N9 — CID 167304359

About 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole

1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole (PubChem CID 167304359) has the molecular formula C94H59N9 and a molecular weight of 1314.57 g/mol. Its IUPAC name is 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole
• PubChem CID: 167304359
• Molecular Formula: C94H59N9
• Molecular Weight: 1314.57 g/mol
• Exact Mass: 1313.49
• IUPAC Name: 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7ccc8c(c9ccccc9n8-c8ccc(-c9ccc%10ccccc%10c9-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)c67)cc5)n4)cc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C94H59N9/c1-6-25-65(26-7-1)80-59-81(96-88(95-80)68-27-8-2-9-28-68)66-45-41-63(42-46-66)77-56-51-60-23-16-18-36-75(60)85(77)94-101-91(71-33-14-5-15-34-71)98-92(102-94)72-47-43-62(44-48-72)74-39-22-35-67-53-58-83-87(84(67)74)79-38-20-21-40-82(79)103(83)73-54-49-64(50-55-73)78-57-52-61-24-17-19-37-76(61)86(78)93-99-89(69-29-10-3-11-30-69)97-90(100-93)70-31-12-4-13-32-70/h1-59H
• InChIKey: REJFOERPBVYLMB-UHFFFAOYSA-N
• XLogP: 23.41
• TPSA: 108.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1314.57
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole?

The IUPAC name of 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole (CID 167304359) is 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole.

What is the SMILES notation for 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole?

The canonical SMILES for 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole is c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7ccc8c(c9ccccc9n8-c8ccc(-c9ccc%10ccccc%10c9-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)c67)cc5)n4)cc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole?

The InChIKey is REJFOERPBVYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H59N9/c1-6-25-65(26-7-1)80-59-81(96-88(95-80)68-27-8-2-9-28-68)66-45-41-63(42-46-66)77-56-51-60-23-16-18-36-75(60)85(77)94-101-91(71-33-14-5-15-34-71)98-92(102-94)72-47-43-62(44-48-72)74-39-22-35-67-53-58-83-87(84(67)74)79-38-20-21-40-82(79)103(83)73-54-49-64(50-55-73)78-57-52-61-24-17-19-37-76(61)86(78)93-99-89(69-29-10-3-11-30-69)97-90(100-93)70-31-12-4-13-32-70/h1-59H.

What are the key properties of 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole?

1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole has a molecular weight of 1314.57 g/mol, XLogP of 23.41, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 167304359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).