4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

C63H39N5O — CID 174273198

About 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174273198) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
• PubChem CID: 174273198
• Molecular Formula: C63H39N5O
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.32
• IUPAC Name: 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C63H39N5O/c1-3-18-40(19-4-1)41-36-38-42(39-37-41)61-64-62(66-63(65-61)50-28-17-35-57-60(50)49-25-10-14-34-56(49)69-57)48-24-9-13-31-53(48)68-52-30-12-8-23-47(52)59-45(27-16-33-55(59)68)44-26-15-32-54-58(44)46-22-7-11-29-51(46)67(54)43-20-5-2-6-21-43/h1-39H
• InChIKey: ORSWBEAWAFDSCQ-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174273198) is 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.

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

The canonical SMILES for 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.

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

The InChIKey is ORSWBEAWAFDSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-3-18-40(19-4-1)41-36-38-42(39-37-41)61-64-62(66-63(65-61)50-28-17-35-57-60(50)49-25-10-14-34-56(49)69-57)48-24-9-13-31-53(48)68-52-30-12-8-23-47(52)59-45(27-16-33-55(59)68)44-26-15-32-54-58(44)46-22-7-11-29-51(46)67(54)43-20-5-2-6-21-43/h1-39H.

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

4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174273198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).