9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane

C169H161N15 — CID 159902814

About 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane

9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane (PubChem CID 159902814) has the molecular formula C169H161N15 and a molecular weight of 2402.25 g/mol. Its IUPAC name is 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane.

Molecular Properties

• Compound Name: 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane
• PubChem CID: 159902814
• Molecular Formula: C169H161N15
• Molecular Weight: 2402.25 g/mol
• Exact Mass: 2400.31
• IUPAC Name: 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane
• SMILES: CC.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21
• InChI: InChI=1S/C82H74N8.C43H41N3.C42H40N4.C2H6/c1-43-47(5)55(13)73-69(51(43)9)70-52(10)44(2)48(6)56(14)74(70)89(73)67-39-37-63(81-85-77(59-29-21-17-22-30-59)83-78(86-81)60-31-23-18-24-32-60)41-65(67)66-42-64(82-87-79(61-33-25-19-26-34-61)84-80(88-82)62-35-27-20-28-36-62)38-40-68(66)90-75-57(15)49(7)45(3)53(11)71(75)72-54(12)46(4)50(8)58(16)76(72)90;1-24-17-16-22-35(37-23-36(33-18-12-10-13-19-33)44-43(45-37)34-20-14-11-15-21-34)40(24)46-41-31(8)27(4)25(2)29(6)38(41)39-30(7)26(3)28(5)32(9)42(39)46;1-23-17-16-22-34(42-44-40(32-18-12-10-13-19-32)43-41(45-42)33-20-14-11-15-21-33)37(23)46-38-30(8)26(4)24(2)28(6)35(38)36-29(7)25(3)27(5)31(9)39(36)46;1-2/h17-42H,1-16H3;10-23H,1-9H3;10-22H,1-9H3;1-2H3
• InChIKey: NWEHXIXAEINKPR-UHFFFAOYSA-N
• XLogP: 43.98
• TPSA: 161.51 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2402.25
LogP ≤ 5	43.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane?

The IUPAC name of 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane (CID 159902814) is 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane.

What is the SMILES notation for 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane?

The canonical SMILES for 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane is CC.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.

What is the InChIKey of 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane?

The InChIKey is NWEHXIXAEINKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H74N8.C43H41N3.C42H40N4.C2H6/c1-43-47(5)55(13)73-69(51(43)9)70-52(10)44(2)48(6)56(14)74(70)89(73)67-39-37-63(81-85-77(59-29-21-17-22-30-59)83-78(86-81)60-31-23-18-24-32-60)41-65(67)66-42-64(82-87-79(61-33-25-19-26-34-61)84-80(88-82)62-35-27-20-28-36-62)38-40-68(66)90-75-57(15)49(7)45(3)53(11)71(75)72-54(12)46(4)50(8)58(16)76(72)90;1-24-17-16-22-35(37-23-36(33-18-12-10-13-19-33)44-43(45-37)34-20-14-11-15-21-34)40(24)46-41-31(8)27(4)25(2)29(6)38(41)39-30(7)26(3)28(5)32(9)42(39)46;1-23-17-16-22-34(42-44-40(32-18-12-10-13-19-32)43-41(45-42)33-20-14-11-15-21-33)37(23)46-38-30(8)26(4)24(2)28(6)35(38)36-29(7)25(3)27(5)31(9)39(36)46;1-2/h17-42H,1-16H3;10-23H,1-9H3;10-22H,1-9H3;1-2H3.

What are the key properties of 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane?

9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane has a molecular weight of 2402.25 g/mol, XLogP of 43.98, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane is sourced from PubChem (CID 159902814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).