2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine

C106H69N3 — CID 167230309

About 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine

2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 167230309) has the molecular formula C106H69N3 and a molecular weight of 1384.74 g/mol. Its IUPAC name is 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 167230309
• Molecular Formula: C106H69N3
• Molecular Weight: 1384.74 g/mol
• Exact Mass: 1383.55
• IUPAC Name: 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-c7cccc(-c8cccc(-c9cccc(-c%10cccc(-c%11cccc(-c%12ccc%13c(c%12)C%12(c%14ccccc%14-c%14ccccc%14%12)c%12ccccc%12-%13)c%11)c%10)c9)c8)c7)c6)n5)cc4)c3)c2)cc1
• InChI: InChI=1S/C106H69N3/c1-3-23-70(24-4-1)74-27-13-30-77(59-74)78-31-15-29-76(61-78)72-53-55-73(56-54-72)103-107-104(93-45-21-43-90(67-93)79-32-14-28-75(60-79)71-25-5-2-6-26-71)109-105(108-103)94-46-22-44-91(68-94)88-41-19-39-86(65-88)84-37-17-35-82(63-84)80-33-16-34-81(62-80)83-36-18-38-85(64-83)87-40-20-42-89(66-87)92-57-58-98-97-49-9-12-52-101(97)106(102(98)69-92)99-50-10-7-47-95(99)96-48-8-11-51-100(96)106/h1-69H
• InChIKey: KDDKQIQWHPPKEC-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1384.74
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (CID 167230309) is 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-c7cccc(-c8cccc(-c9cccc(-c%10cccc(-c%11cccc(-c%12ccc%13c(c%12)C%12(c%14ccccc%14-c%14ccccc%14%12)c%12ccccc%12-%13)c%11)c%10)c9)c8)c7)c6)n5)cc4)c3)c2)cc1.

What is the InChIKey of 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is KDDKQIQWHPPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H69N3/c1-3-23-70(24-4-1)74-27-13-30-77(59-74)78-31-15-29-76(61-78)72-53-55-73(56-54-72)103-107-104(93-45-21-43-90(67-93)79-32-14-28-75(60-79)71-25-5-2-6-26-71)109-105(108-103)94-46-22-44-91(68-94)88-41-19-39-86(65-88)84-37-17-35-82(63-84)80-33-16-34-81(62-80)83-36-18-38-85(64-83)87-40-20-42-89(66-87)92-57-58-98-97-49-9-12-52-101(97)106(102(98)69-92)99-50-10-7-47-95(99)96-48-8-11-51-100(96)106/h1-69H.

What are the key properties of 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1384.74 g/mol, XLogP of 27.55, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 167230309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).