9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

C112H92N16 — CID 163902535

About 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 163902535) has the molecular formula C112H92N16 and a molecular weight of 1662.08 g/mol. Its IUPAC name is 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

• Compound Name: 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
• PubChem CID: 163902535
• Molecular Formula: C112H92N16
• Molecular Weight: 1662.08 g/mol
• Exact Mass: 1660.77
• IUPAC Name: 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc(-c3cc(-c4nc(C)nc(C)n4)ccc3-n3c4ccc(C)cc4c4cc(C)ccc43)c2)c(-c2nc(C)nc(C)n2)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)c(-n3c4ccc(C)cc4c4cc(C)ccc43)c2)c1
• InChI: InChI=1S/2C56H46N8/c1-31-12-19-51-45(24-31)46-25-32(2)13-20-52(46)63(51)42-17-18-43(49(30-42)56-61-37(7)58-38(8)62-56)39-10-9-11-40(28-39)44-29-41(55-59-35(5)57-36(6)60-55)16-23-50(44)64-53-21-14-33(3)26-47(53)48-27-34(4)15-22-54(48)64;1-31-12-19-50-45(24-31)46-25-32(2)13-20-51(46)63(50)49-23-17-42(55-59-35(5)57-36(6)60-55)29-44(49)41-11-9-10-39(28-41)40-16-18-43(56-61-37(7)58-38(8)62-56)54(30-40)64-52-21-14-33(3)26-47(52)48-27-34(4)15-22-53(48)64/h2*9-30H,1-8H3
• InChIKey: QLCOXTMMCCOASU-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 174.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.08
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?

The IUPAC name of 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 163902535) is 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

What is the SMILES notation for 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?

The canonical SMILES for 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc(-c3cc(-c4nc(C)nc(C)n4)ccc3-n3c4ccc(C)cc4c4cc(C)ccc43)c2)c(-c2nc(C)nc(C)n2)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)c(-n3c4ccc(C)cc4c4cc(C)ccc43)c2)c1.

What is the InChIKey of 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?

The InChIKey is QLCOXTMMCCOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H46N8/c1-31-12-19-51-45(24-31)46-25-32(2)13-20-52(46)63(51)42-17-18-43(49(30-42)56-61-37(7)58-38(8)62-56)39-10-9-11-40(28-39)44-29-41(55-59-35(5)57-36(6)60-55)16-23-50(44)64-53-21-14-33(3)26-47(53)48-27-34(4)15-22-54(48)64;1-31-12-19-50-45(24-31)46-25-32(2)13-20-51(46)63(50)49-23-17-42(55-59-35(5)57-36(6)60-55)29-44(49)41-11-9-10-39(28-41)40-16-18-43(56-61-37(7)58-38(8)62-56)54(30-40)64-52-21-14-33(3)26-47(52)48-27-34(4)15-22-53(48)64/h2*9-30H,1-8H3.

What are the key properties of 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?

9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 1662.08 g/mol, XLogP of 26.77, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 163902535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).