5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

C59H36N4O2 — CID 166699304

About 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 166699304) has the molecular formula C59H36N4O2 and a molecular weight of 832.96 g/mol. Its IUPAC name is 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• PubChem CID: 166699304
• Molecular Formula: C59H36N4O2
• Molecular Weight: 832.96 g/mol
• Exact Mass: 832.28
• IUPAC Name: 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• SMILES: CC1Oc2ccccc2-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4c6ccccc6ccc54)n3)ccc21
• InChI: InChI=1S/C59H36N4O2/c1-34-40-27-26-39(32-48(40)44-21-9-11-24-53(44)64-34)57-60-58(47-22-12-17-35-13-4-6-18-41(35)47)62-59(61-57)54-51(30-29-46-45-28-25-36-14-5-7-19-42(36)55(45)65-56(46)54)63-50-23-10-8-20-43(50)49-31-37-15-2-3-16-38(37)33-52(49)63/h2-34H,1H3
• InChIKey: BTUHBBPWICEDIF-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 65.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.96
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The IUPAC name of 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 166699304) is 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The canonical SMILES for 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is CC1Oc2ccccc2-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4c6ccccc6ccc54)n3)ccc21.

What is the InChIKey of 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The InChIKey is BTUHBBPWICEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O2/c1-34-40-27-26-39(32-48(40)44-21-9-11-24-53(44)64-34)57-60-58(47-22-12-17-35-13-4-6-18-41(35)47)62-59(61-57)54-51(30-29-46-45-28-25-36-14-5-7-19-42(36)55(45)65-56(46)54)63-50-23-10-8-20-43(50)49-31-37-15-2-3-16-38(37)33-52(49)63/h2-34H,1H3.

What are the key properties of 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole has a molecular weight of 832.96 g/mol, XLogP of 15.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 166699304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).