7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile

C106H70N8 — CID 138749895

IUPAC7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9c(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cccc(C#N)c%11-%12)cc%10)ccc%10ccccc9%10)cc8)n7)c6)ccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc21
InChIInChI=1S/C106H70N8/c1-105(2)92-29-17-27-84(64-108)98(92)91-57-50-81(62-95(91)105)67-33-35-69(36-34-67)86-53-47-68-18-14-15-28-85(68)96(86)71-39-43-77(44-40-71)103-112-101(75-23-12-7-13-24-75)113-104(114-103)83-26-16-25-78(60-83)79-48-54-88-82(59-79)51-55-87(70-37-31-66(32-38-70)80-49-56-90-89-52-30-65(63-107)58-93(89)106(3,4)94(90)61-80)97(88)72-41-45-76(46-42-72)102-110-99(73-19-8-5-9-20-73)109-100(111-102)74-21-10-6-11-22-74/h5-62H,1-4H3
InChIKeyMMGYTGLGFKHNTH-UHFFFAOYSA-N
MW1455.78 g/mol
LogP26.39
Rot. Bonds13

About 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile

7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (PubChem CID 138749895) has the molecular formula C106H70N8 and a molecular weight of 1455.78 g/mol. Its IUPAC name is 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.

Molecular Properties

Compound Name7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
PubChem CID138749895
Molecular FormulaC106H70N8
Molecular Weight1455.78 g/mol
Exact Mass1454.57
IUPAC Name7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9c(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cccc(C#N)c%11-%12)cc%10)ccc%10ccccc9%10)cc8)n7)c6)ccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc21
InChIInChI=1S/C106H70N8/c1-105(2)92-29-17-27-84(64-108)98(92)91-57-50-81(62-95(91)105)67-33-35-69(36-34-67)86-53-47-68-18-14-15-28-85(68)96(86)71-39-43-77(44-40-71)103-112-101(75-23-12-7-13-24-75)113-104(114-103)83-26-16-25-78(60-83)79-48-54-88-82(59-79)51-55-87(70-37-31-66(32-38-70)80-49-56-90-89-52-30-65(63-107)58-93(89)106(3,4)94(90)61-80)97(88)72-41-45-76(46-42-72)102-110-99(73-19-8-5-9-20-73)109-100(111-102)74-21-10-6-11-22-74/h5-62H,1-4H3
InChIKeyMMGYTGLGFKHNTH-UHFFFAOYSA-N
XLogP26.39
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001455.78
LogP ≤ 526.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile with MolForge

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Related Compounds

9,9-dimethyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile;9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 163578084
7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750088
7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 138749871
7-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749717
6-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-11,11-dimethylbenzo[b]fluorene-2-carbonitrile
CID 161105565
9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile
CID 162775710
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 162776047
9,9-dimethyl-7-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-4-carbonitrile
CID 166796610
9,9-dimethyl-6-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 162775792
2-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228067
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871

Frequently Asked Questions

What is the IUPAC name of 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The IUPAC name of 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (CID 138749895) is 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.
What is the SMILES notation for 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The canonical SMILES for 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9c(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cccc(C#N)c%11-%12)cc%10)ccc%10ccccc9%10)cc8)n7)c6)ccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc21.
What is the InChIKey of 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The InChIKey is MMGYTGLGFKHNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H70N8/c1-105(2)92-29-17-27-84(64-108)98(92)91-57-50-81(62-95(91)105)67-33-35-69(36-34-67)86-53-47-68-18-14-15-28-85(68)96(86)71-39-43-77(44-40-71)103-112-101(75-23-12-7-13-24-75)113-104(114-103)83-26-16-25-78(60-83)79-48-54-88-82(59-79)51-55-87(70-37-31-66(32-38-70)80-49-56-90-89-52-30-65(63-107)58-93(89)106(3,4)94(90)61-80)97(88)72-41-45-76(46-42-72)102-110-99(73-19-8-5-9-20-73)109-100(111-102)74-21-10-6-11-22-74/h5-62H,1-4H3.
What are the key properties of 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile has a molecular weight of 1455.78 g/mol, XLogP of 26.39, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is sourced from PubChem (CID 138749895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).