3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]

C81H51N5 — CID 138725818

About 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]

3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine] (PubChem CID 138725818) has the molecular formula C81H51N5 and a molecular weight of 1094.33 g/mol. Its IUPAC name is 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine].

Molecular Properties

• Compound Name: 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
• PubChem CID: 138725818
• Molecular Formula: C81H51N5
• Molecular Weight: 1094.33 g/mol
• Exact Mass: 1093.41
• IUPAC Name: 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6cc(-c8ccccc8)ccc6n7-c6cnc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c5)n4)c3)c2)cc1
• InChI: InChI=1S/C81H51N5/c1-5-22-52(23-6-1)57-42-43-74-69(49-57)76-65(37-21-41-75(76)86(74)64-50-73-77(82-51-64)68-36-15-18-40-72(68)81(73)70-38-16-13-34-66(70)67-35-14-17-39-71(67)81)58-31-20-33-60(45-58)80-84-78(55-28-11-4-12-29-55)83-79(85-80)59-32-19-30-56(44-59)63-47-61(53-24-7-2-8-25-53)46-62(48-63)54-26-9-3-10-27-54/h1-51H
• InChIKey: BBZSHXWDBDQIJK-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1094.33
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine] (CID 138725818) is 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine].

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

The canonical SMILES for 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine] is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6cc(-c8ccccc8)ccc6n7-c6cnc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c5)n4)c3)c2)cc1.

What is the InChIKey of 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]?

The InChIKey is BBZSHXWDBDQIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51N5/c1-5-22-52(23-6-1)57-42-43-74-69(49-57)76-65(37-21-41-75(76)86(74)64-50-73-77(82-51-64)68-36-15-18-40-72(68)81(73)70-38-16-13-34-66(70)67-35-14-17-39-71(67)81)58-31-20-33-60(45-58)80-84-78(55-28-11-4-12-29-55)83-79(85-80)59-32-19-30-56(44-59)63-47-61(53-24-7-2-8-25-53)46-62(48-63)54-26-9-3-10-27-54/h1-51H.

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

3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine] has a molecular weight of 1094.33 g/mol, XLogP of 20.04, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 138725818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).