5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C64H37N5O — CID 169014242

About 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 169014242) has the molecular formula C64H37N5O and a molecular weight of 892.03 g/mol. Its IUPAC name is 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

• Compound Name: 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
• PubChem CID: 169014242
• Molecular Formula: C64H37N5O
• Molecular Weight: 892.03 g/mol
• Exact Mass: 891.30
• IUPAC Name: 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
• SMILES: c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1
• InChI: InChI=1S/C64H37N5O/c1-8-25-51-41(18-1)42-19-2-9-26-52(42)64(51)53-27-10-3-20-43(53)49-36-50-46-23-6-11-28-55(46)68(58(50)37-54(49)64)40-17-15-16-38(34-40)61-65-62(39-32-33-48-47-24-7-14-31-59(47)70-60(48)35-39)67-63(66-61)69-56-29-12-4-21-44(56)45-22-5-13-30-57(45)69/h1-37H
• InChIKey: BNWIBINXRGTUAC-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.03
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The IUPAC name of 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 169014242) is 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

What is the SMILES notation for 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The canonical SMILES for 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.

What is the InChIKey of 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The InChIKey is BNWIBINXRGTUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N5O/c1-8-25-51-41(18-1)42-19-2-9-26-52(42)64(51)53-27-10-3-20-43(53)49-36-50-46-23-6-11-28-55(46)68(58(50)37-54(49)64)40-17-15-16-38(34-40)61-65-62(39-32-33-48-47-24-7-14-31-59(47)70-60(48)35-39)67-63(66-61)69-56-29-12-4-21-44(56)45-22-5-13-30-57(45)69/h1-37H.

What are the key properties of 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 892.03 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 169014242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).