8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole

C59H35ClN4O — CID 142570232

About 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole

8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole (PubChem CID 142570232) has the molecular formula C59H35ClN4O and a molecular weight of 851.41 g/mol. Its IUPAC name is 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole.

Molecular Properties

• Compound Name: 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole
• PubChem CID: 142570232
• Molecular Formula: C59H35ClN4O
• Molecular Weight: 851.41 g/mol
• Exact Mass: 850.25
• IUPAC Name: 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole
• SMILES: Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4c(-c6cccc7c6[nH]c6ccc8ccccc8c67)c6ccccc6cc45)cc3)cc2)n1
• InChI: InChI=1S/C59H35ClN4O/c60-59-63-57(41-25-21-36(22-26-41)35-9-2-1-3-10-35)62-58(64-59)42-27-23-38(24-28-42)37-17-19-39(20-18-37)43-29-31-47-50-33-44-12-5-7-14-46(44)54(56(50)65-52(47)34-43)49-16-8-15-48-53-45-13-6-4-11-40(45)30-32-51(53)61-55(48)49/h1-34,61H
• InChIKey: YCTWJNRZKBXKJB-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.41
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole?

The IUPAC name of 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole (CID 142570232) is 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole.

What is the SMILES notation for 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole?

The canonical SMILES for 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole is Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4c(-c6cccc7c6[nH]c6ccc8ccccc8c67)c6ccccc6cc45)cc3)cc2)n1.

What is the InChIKey of 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole?

The InChIKey is YCTWJNRZKBXKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35ClN4O/c60-59-63-57(41-25-21-36(22-26-41)35-9-2-1-3-10-35)62-58(64-59)42-27-23-38(24-28-42)37-17-19-39(20-18-37)43-29-31-47-50-33-44-12-5-7-14-46(44)54(56(50)65-52(47)34-43)49-16-8-15-48-53-45-13-6-4-11-40(45)30-32-51(53)61-55(48)49/h1-34,61H.

What are the key properties of 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole?

8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole has a molecular weight of 851.41 g/mol, XLogP of 16.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole is sourced from PubChem (CID 142570232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).