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

C118H77N3 — CID 167230238

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

2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 167230238) has the molecular formula C118H77N3 and a molecular weight of 1536.93 g/mol. Its IUPAC name is 2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 167230238
• Molecular Formula: C118H77N3
• Molecular Weight: 1536.93 g/mol
• Exact Mass: 1535.61
• IUPAC Name: 2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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(-c6ccc(-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)cc6)nc(-c6cccc(-c7cccc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)c7)c6)n5)cc4)c3)c2)cc1
• InChI: InChI=1S/C118H77N3/c1-3-24-78(25-4-1)84-28-13-32-88(66-84)90-34-15-30-86(68-90)80-56-60-82(61-57-80)115-119-116(121-117(120-115)106-49-23-48-104(76-106)102-46-21-44-100(74-102)95-39-17-36-92(70-95)89-33-14-29-85(67-89)79-26-5-2-6-27-79)83-62-58-81(59-63-83)87-31-16-35-91(69-87)93-37-18-38-94(71-93)96-40-19-41-97(72-96)98-42-20-43-99(73-98)101-45-22-47-103(75-101)105-64-65-110-109-52-9-12-55-113(109)118(114(110)77-105)111-53-10-7-50-107(111)108-51-8-11-54-112(108)118/h1-77H
• InChIKey: WWFBCXPGKXXMTQ-UHFFFAOYSA-N
• XLogP: 30.89
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1536.93
LogP ≤ 5	30.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (CID 167230238) is 2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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(-c6ccc(-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)cc6)nc(-c6cccc(-c7cccc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)c7)c6)n5)cc4)c3)c2)cc1.

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

The InChIKey is WWFBCXPGKXXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H77N3/c1-3-24-78(25-4-1)84-28-13-32-88(66-84)90-34-15-30-86(68-90)80-56-60-82(61-57-80)115-119-116(121-117(120-115)106-49-23-48-104(76-106)102-46-21-44-100(74-102)95-39-17-36-92(70-95)89-33-14-29-85(67-89)79-26-5-2-6-27-79)83-62-58-81(59-63-83)87-31-16-35-91(69-87)93-37-18-38-94(71-93)96-40-19-41-97(72-96)98-42-20-43-99(73-98)101-45-22-47-103(75-101)105-64-65-110-109-52-9-12-55-113(109)118(114(110)77-105)111-53-10-7-50-107(111)108-51-8-11-54-112(108)118/h1-77H.

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

2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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 1536.93 g/mol, XLogP of 30.89, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[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 167230238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).