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

C94H62N8 — CID 138750021

IUPAC7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7c(-c8ccc(-c9cccc%10c9-c9ccc(C#N)cc9C%10(C)C)cc8)ccc8ccccc78)n6)cccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C94H62N8/c1-93(2)79-35-18-28-67(56-96)83(79)77-50-47-66(54-82(77)93)58-38-40-61(41-39-58)71-51-52-74-72(33-19-34-75(74)86(71)92-99-87(63-22-8-5-9-23-63)97-88(100-92)64-24-10-6-11-25-64)73-30-16-17-31-76(73)90-98-89(65-26-12-7-13-27-65)101-91(102-90)85-69-29-15-14-21-59(69)46-49-70(85)62-44-42-60(43-45-62)68-32-20-36-80-84(68)78-48-37-57(55-95)53-81(78)94(80,3)4/h5-54H,1-4H3
InChIKeyJRZUZJDINZTLGQ-UHFFFAOYSA-N
MW1303.59 g/mol
LogP23.06
Rot. Bonds11

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

7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (PubChem CID 138750021) has the molecular formula C94H62N8 and a molecular weight of 1303.59 g/mol. Its IUPAC name is 7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.

Molecular Properties

Compound Name7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
PubChem CID138750021
Molecular FormulaC94H62N8
Molecular Weight1303.59 g/mol
Exact Mass1302.51
IUPAC Name7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7c(-c8ccc(-c9cccc%10c9-c9ccc(C#N)cc9C%10(C)C)cc8)ccc8ccccc78)n6)cccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C94H62N8/c1-93(2)79-35-18-28-67(56-96)83(79)77-50-47-66(54-82(77)93)58-38-40-61(41-39-58)71-51-52-74-72(33-19-34-75(74)86(71)92-99-87(63-22-8-5-9-23-63)97-88(100-92)64-24-10-6-11-25-64)73-30-16-17-31-76(73)90-98-89(65-26-12-7-13-27-65)101-91(102-90)85-69-29-15-14-21-59(69)46-49-70(85)62-44-42-60(43-45-62)68-32-20-36-80-84(68)78-48-37-57(55-95)53-81(78)94(80,3)4/h5-54H,1-4H3
InChIKeyJRZUZJDINZTLGQ-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-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)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-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The IUPAC name of 7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (CID 138750021) is 7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.
What is the SMILES notation for 7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The canonical SMILES for 7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is CC1(C)c2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7c(-c8ccc(-c9cccc%10c9-c9ccc(C#N)cc9C%10(C)C)cc8)ccc8ccccc78)n6)cccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-c2c(C#N)cccc21.
What is the InChIKey of 7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The InChIKey is JRZUZJDINZTLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H62N8/c1-93(2)79-35-18-28-67(56-96)83(79)77-50-47-66(54-82(77)93)58-38-40-61(41-39-58)71-51-52-74-72(33-19-34-75(74)86(71)92-99-87(63-22-8-5-9-23-63)97-88(100-92)64-24-10-6-11-25-64)73-30-16-17-31-76(73)90-98-89(65-26-12-7-13-27-65)101-91(102-90)85-69-29-15-14-21-59(69)46-49-70(85)62-44-42-60(43-45-62)68-32-20-36-80-84(68)78-48-37-57(55-95)53-81(78)94(80,3)4/h5-54H,1-4H3.
What are the key properties of 7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
7-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-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-[4-[5-[2-[4-[2-[4-(7-cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is sourced from PubChem (CID 138750021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).