5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole

C64H62N8 — CID 130353539

About 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole

5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 130353539) has the molecular formula C64H62N8 and a molecular weight of 943.26 g/mol. Its IUPAC name is 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 130353539
• Molecular Formula: C64H62N8
• Molecular Weight: 943.26 g/mol
• Exact Mass: 942.51
• IUPAC Name: 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
• SMILES: Cc1cc(C)c(C)c(-c2ncnc(-c3c(C)c(C)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6c(C)c(C)c(-c7ncnc(-c8c(C)c(C)cc(C)c8C)n7)c(C)c6C)c45)c(C)c3C)n2)c1C
• InChI: InChI=1S/C64H62N8/c1-31-27-32(2)36(6)53(35(31)5)61-65-29-67-63(69-61)55-39(9)43(13)58(44(14)40(55)10)71-51-24-20-18-22-49(51)57-52(71)26-25-48-47-21-17-19-23-50(47)72(60(48)57)59-45(15)41(11)56(42(12)46(59)16)64-68-30-66-62(70-64)54-37(7)33(3)28-34(4)38(54)8/h17-30H,1-16H3
• InChIKey: DEQRELHMJWMXLG-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.26
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole (CID 130353539) is 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole is Cc1cc(C)c(C)c(-c2ncnc(-c3c(C)c(C)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6c(C)c(C)c(-c7ncnc(-c8c(C)c(C)cc(C)c8C)n7)c(C)c6C)c45)c(C)c3C)n2)c1C.

What is the InChIKey of 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole?

The InChIKey is DEQRELHMJWMXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62N8/c1-31-27-32(2)36(6)53(35(31)5)61-65-29-67-63(69-61)55-39(9)43(13)58(44(14)40(55)10)71-51-24-20-18-22-49(51)57-52(71)26-25-48-47-21-17-19-23-50(47)72(60(48)57)59-45(15)41(11)56(42(12)46(59)16)64-68-30-66-62(70-64)54-37(7)33(3)28-34(4)38(54)8/h17-30H,1-16H3.

What are the key properties of 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole?

5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 943.26 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 130353539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).