7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile

C94H62N8 — CID 138749703

IUPAC7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9cccc%10c9-c9ccc(C#N)cc9C%10(C)C)ccc9ccccc89)cc7)n6)c5)cccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C94H62N8/c1-93(2)79-34-17-29-69(56-96)85(79)77-49-46-67(54-82(77)93)72-50-51-73-70(31-18-32-74(73)84(72)60-39-43-64(44-40-60)90-98-87(61-21-8-5-9-22-61)97-88(99-90)62-23-10-6-11-24-62)66-27-16-28-68(53-66)92-101-89(63-25-12-7-13-26-63)100-91(102-92)65-41-37-59(38-42-65)83-71-30-15-14-20-58(71)45-48-76(83)75-33-19-35-80-86(75)78-47-36-57(55-95)52-81(78)94(80,3)4/h5-54H,1-4H3
InChIKeySHFWCYPIUVGRKH-UHFFFAOYSA-N
MW1303.59 g/mol
LogP23.06
Rot. Bonds11

About 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile

7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile (PubChem CID 138749703) has the molecular formula C94H62N8 and a molecular weight of 1303.59 g/mol. Its IUPAC name is 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile.

Molecular Properties

Compound Name7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile
PubChem CID138749703
Molecular FormulaC94H62N8
Molecular Weight1303.59 g/mol
Exact Mass1302.51
IUPAC Name7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9cccc%10c9-c9ccc(C#N)cc9C%10(C)C)ccc9ccccc89)cc7)n6)c5)cccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C94H62N8/c1-93(2)79-34-17-29-69(56-96)85(79)77-49-46-67(54-82(77)93)72-50-51-73-70(31-18-32-74(73)84(72)60-39-43-64(44-40-60)90-98-87(61-21-8-5-9-22-61)97-88(99-90)62-23-10-6-11-24-62)66-27-16-28-68(53-66)92-101-89(63-25-12-7-13-26-63)100-91(102-92)65-41-37-59(38-42-65)83-71-30-15-14-20-58(71)45-48-76(83)75-33-19-35-80-86(75)78-47-36-57(55-95)52-81(78)94(80,3)4/h5-54H,1-4H3
InChIKeySHFWCYPIUVGRKH-UHFFFAOYSA-N
XLogP23.06
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.59
LogP ≤ 523.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile?
The IUPAC name of 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile (CID 138749703) is 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile.
What is the SMILES notation for 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile?
The canonical SMILES for 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile is CC1(C)c2cc(-c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9cccc%10c9-c9ccc(C#N)cc9C%10(C)C)ccc9ccccc89)cc7)n6)c5)cccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-c2c(C#N)cccc21.
What is the InChIKey of 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile?
The InChIKey is SHFWCYPIUVGRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H62N8/c1-93(2)79-34-17-29-69(56-96)85(79)77-49-46-67(54-82(77)93)72-50-51-73-70(31-18-32-74(73)84(72)60-39-43-64(44-40-60)90-98-87(61-21-8-5-9-22-61)97-88(99-90)62-23-10-6-11-24-62)66-27-16-28-68(53-66)92-101-89(63-25-12-7-13-26-63)100-91(102-92)65-41-37-59(38-42-65)83-71-30-15-14-20-58(71)45-48-76(83)75-33-19-35-80-86(75)78-47-36-57(55-95)52-81(78)94(80,3)4/h5-54H,1-4H3.
What are the key properties of 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile?
7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile has a molecular weight of 1303.59 g/mol, XLogP of 23.06, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[3-[4-[4-[2-(7-cyano-9,9-dimethylfluoren-4-yl)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]-9,9-dimethylfluorene-4-carbonitrile is sourced from PubChem (CID 138749703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).