9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

C63H37N5O2 — CID 177130463

About 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (PubChem CID 177130463) has the molecular formula C63H37N5O2 and a molecular weight of 903.06 g/mol. Its IUPAC name is 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.

Molecular Properties

• Compound Name: 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
• PubChem CID: 177130463
• Molecular Formula: C63H37N5O2
• Molecular Weight: 903.06 g/mol
• Exact Mass: 902.34
• IUPAC Name: 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
• SMILES: [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C63H37N5O2/c1-7-28-52-43(18-1)44-19-2-8-29-53(44)67(52)56-32-11-5-23-50(56)62-64-61(65-63(66-62)68-54-30-9-3-20-45(54)46-21-4-10-31-55(46)68)40-17-13-16-38(36-40)41-24-15-27-49-51-37-39(34-35-58(51)70-60(41)49)42-25-14-26-48-47-22-6-12-33-57(47)69-59(42)48/h1-37H/i1D,2D,7D,18D,19D,28D,29D
• InChIKey: XYAJRQDKDZGSGS-SVZZAHSPSA-N
• XLogP: 16.53
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.06
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?

The IUPAC name of 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (CID 177130463) is 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.

What is the SMILES notation for 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?

The canonical SMILES for 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-n2c3ccccc3c3ccccc32)n1.

What is the InChIKey of 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?

The InChIKey is XYAJRQDKDZGSGS-SVZZAHSPSA-N. The full InChI is InChI=1S/C63H37N5O2/c1-7-28-52-43(18-1)44-19-2-8-29-53(44)67(52)56-32-11-5-23-50(56)62-64-61(65-63(66-62)68-54-30-9-3-20-45(54)46-21-4-10-31-55(46)68)40-17-13-16-38(36-40)41-24-15-27-49-51-37-39(34-35-58(51)70-60(41)49)42-25-14-26-48-47-22-6-12-33-57(47)69-59(42)48/h1-37H/i1D,2D,7D,18D,19D,28D,29D.

What are the key properties of 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?

9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole has a molecular weight of 903.06 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is sourced from PubChem (CID 177130463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).