2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

C104H70N6O2 — CID 134569830

About 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 134569830) has the molecular formula C104H70N6O2 and a molecular weight of 1435.74 g/mol. Its IUPAC name is 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 134569830
• Molecular Formula: C104H70N6O2
• Molecular Weight: 1435.74 g/mol
• Exact Mass: 1434.56
• IUPAC Name: 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(Oc5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc(C9(c%10ccccc%10)c%10ccccc%10-c%10c(-c%11ccc(Oc%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%12)cc%11)cccc%109)cc8)c7)n6)cc5)cc4)cc32)=CCC1
• InChI: InChI=1S/C104H70N6O2/c1-7-25-72(26-8-1)97-105-98(73-27-9-2-10-28-73)107-100(106-97)75-51-62-87(63-52-75)112-85-60-49-71(50-61-85)88-41-24-44-94-96(88)91-40-20-22-43-93(91)103(94,80-33-13-4-14-34-80)83-56-45-69(46-57-83)77-31-23-32-79(67-77)102-109-99(74-29-11-3-12-30-74)108-101(110-102)76-53-64-86(65-54-76)111-84-58-47-70(48-59-84)78-55-66-90-89-39-19-21-42-92(89)104(95(90)68-78,81-35-15-5-16-36-81)82-37-17-6-18-38-82/h1-5,7-17,19-68H,6,18H2
• InChIKey: JZLAGZAWDWCKBT-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1435.74
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 134569830) is 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is C1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(Oc5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc(C9(c%10ccccc%10)c%10ccccc%10-c%10c(-c%11ccc(Oc%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%12)cc%11)cccc%109)cc8)c7)n6)cc5)cc4)cc32)=CCC1.

What is the InChIKey of 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is JZLAGZAWDWCKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H70N6O2/c1-7-25-72(26-8-1)97-105-98(73-27-9-2-10-28-73)107-100(106-97)75-51-62-87(63-52-75)112-85-60-49-71(50-61-85)88-41-24-44-94-96(88)91-40-20-22-43-93(91)103(94,80-33-13-4-14-34-80)83-56-45-69(46-57-83)77-31-23-32-79(67-77)102-109-99(74-29-11-3-12-30-74)108-101(110-102)76-53-64-86(65-54-76)111-84-58-47-70(48-59-84)78-55-66-90-89-39-19-21-42-92(89)104(95(90)68-78,81-35-15-5-16-36-81)82-37-17-6-18-38-82/h1-5,7-17,19-68H,6,18H2.

What are the key properties of 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1435.74 g/mol, XLogP of 25.60, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134569830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).