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

C106H70N8 — CID 138750099

IUPAC7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9ccc(-c%10cccc%11c%10-c%10ccc(C#N)cc%10C%11(C)C)cc9)ccc9ccccc89)cc7)n6)cccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C106H70N8/c1-105(2)91-35-18-28-79(64-108)97(91)89-58-55-78(62-94(89)105)66-38-40-69(41-39-66)83-59-60-86-84(33-19-34-87(86)96(83)72-48-52-76(53-49-72)102-110-99(73-22-8-5-9-23-73)109-100(111-102)74-24-10-6-11-25-74)85-30-16-17-31-88(85)104-113-101(75-26-12-7-13-27-75)112-103(114-104)77-50-46-71(47-51-77)95-80-29-15-14-21-67(80)54-57-82(95)70-44-42-68(43-45-70)81-32-20-36-92-98(81)90-56-37-65(63-107)61-93(90)106(92,3)4/h5-62H,1-4H3
InChIKeyMAGVGYVDGQKGLV-UHFFFAOYSA-N
MW1455.78 g/mol
LogP26.39
Rot. Bonds13

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

7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (PubChem CID 138750099) has the molecular formula C106H70N8 and a molecular weight of 1455.78 g/mol. Its IUPAC name is 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.

Molecular Properties

Compound Name7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
PubChem CID138750099
Molecular FormulaC106H70N8
Molecular Weight1455.78 g/mol
Exact Mass1454.57
IUPAC Name7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9ccc(-c%10cccc%11c%10-c%10ccc(C#N)cc%10C%11(C)C)cc9)ccc9ccccc89)cc7)n6)cccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C106H70N8/c1-105(2)91-35-18-28-79(64-108)97(91)89-58-55-78(62-94(89)105)66-38-40-69(41-39-66)83-59-60-86-84(33-19-34-87(86)96(83)72-48-52-76(53-49-72)102-110-99(73-22-8-5-9-23-73)109-100(111-102)74-24-10-6-11-25-74)85-30-16-17-31-88(85)104-113-101(75-26-12-7-13-27-75)112-103(114-104)77-50-46-71(47-51-77)95-80-29-15-14-21-67(80)54-57-82(95)70-44-42-68(43-45-70)81-32-20-36-92-98(81)90-56-37-65(63-107)61-93(90)106(92,3)4/h5-62H,1-4H3
InChIKeyMAGVGYVDGQKGLV-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-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The IUPAC name of 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (CID 138750099) is 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.
What is the SMILES notation for 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The canonical SMILES for 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is CC1(C)c2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9ccc(-c%10cccc%11c%10-c%10ccc(C#N)cc%10C%11(C)C)cc9)ccc9ccccc89)cc7)n6)cccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)ccc2-c2c(C#N)cccc21.
What is the InChIKey of 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The InChIKey is MAGVGYVDGQKGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H70N8/c1-105(2)91-35-18-28-79(64-108)97(91)89-58-55-78(62-94(89)105)66-38-40-69(41-39-66)83-59-60-86-84(33-19-34-87(86)96(83)72-48-52-76(53-49-72)102-110-99(73-22-8-5-9-23-73)109-100(111-102)74-24-10-6-11-25-74)85-30-16-17-31-88(85)104-113-101(75-26-12-7-13-27-75)112-103(114-104)77-50-46-71(47-51-77)95-80-29-15-14-21-67(80)54-57-82(95)70-44-42-68(43-45-70)81-32-20-36-92-98(81)90-56-37-65(63-107)61-93(90)106(92,3)4/h5-62H,1-4H3.
What are the key properties of 7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
7-[4-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-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-[5-[2-[4-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is sourced from PubChem (CID 138750099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).