7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile

C106H70N8 — CID 138749892

IUPAC7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccc%10ccccc%10c9-c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cccc(C#N)c%10-%11)cc9)cc8)n7)cc6)cc45)cc3)cc21
InChIInChI=1S/C106H70N8/c1-105(2)92-26-16-24-84(64-108)98(92)90-58-53-83(62-95(90)105)68-28-39-73(40-29-68)96-85-25-15-14-17-69(85)50-55-86(96)70-34-45-80(46-35-70)104-113-101(77-22-12-7-13-23-77)112-102(114-104)78-43-32-66(33-44-78)81-49-38-72-51-56-87(71-36-47-79(48-37-71)103-110-99(75-18-8-5-9-19-75)109-100(111-103)76-20-10-6-11-21-76)97(91(72)60-81)74-41-30-67(31-42-74)82-52-57-89-88-54-27-65(63-107)59-93(88)106(3,4)94(89)61-82/h5-62H,1-4H3
InChIKeyBUPFFHBSIVVLNO-UHFFFAOYSA-N
MW1455.78 g/mol
LogP26.39
Rot. Bonds13

About 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile

7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (PubChem CID 138749892) has the molecular formula C106H70N8 and a molecular weight of 1455.78 g/mol. Its IUPAC name is 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.

Molecular Properties

Compound Name7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
PubChem CID138749892
Molecular FormulaC106H70N8
Molecular Weight1455.78 g/mol
Exact Mass1454.57
IUPAC Name7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccc%10ccccc%10c9-c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cccc(C#N)c%10-%11)cc9)cc8)n7)cc6)cc45)cc3)cc21
InChIInChI=1S/C106H70N8/c1-105(2)92-26-16-24-84(64-108)98(92)90-58-53-83(62-95(90)105)68-28-39-73(40-29-68)96-85-25-15-14-17-69(85)50-55-86(96)70-34-45-80(46-35-70)104-113-101(77-22-12-7-13-23-77)112-102(114-104)78-43-32-66(33-44-78)81-49-38-72-51-56-87(71-36-47-79(48-37-71)103-110-99(75-18-8-5-9-19-75)109-100(111-103)76-20-10-6-11-21-76)97(91(72)60-81)74-41-30-67(31-42-74)82-52-57-89-88-54-27-65(63-107)59-93(88)106(3,4)94(89)61-82/h5-62H,1-4H3
InChIKeyBUPFFHBSIVVLNO-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-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The IUPAC name of 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile (CID 138749892) is 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile.
What is the SMILES notation for 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The canonical SMILES for 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccc%10ccccc%10c9-c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cccc(C#N)c%10-%11)cc9)cc8)n7)cc6)cc45)cc3)cc21.
What is the InChIKey of 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
The InChIKey is BUPFFHBSIVVLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H70N8/c1-105(2)92-26-16-24-84(64-108)98(92)90-58-53-83(62-95(90)105)68-28-39-73(40-29-68)96-85-25-15-14-17-69(85)50-55-86(96)70-34-45-80(46-35-70)104-113-101(77-22-12-7-13-23-77)112-102(114-104)78-43-32-66(33-44-78)81-49-38-72-51-56-87(71-36-47-79(48-37-71)103-110-99(75-18-8-5-9-19-75)109-100(111-103)76-20-10-6-11-21-76)97(91(72)60-81)74-41-30-67(31-42-74)82-52-57-89-88-54-27-65(63-107)59-93(88)106(3,4)94(89)61-82/h5-62H,1-4H3.
What are the key properties of 7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile?
7-[4-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-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-[2-[4-[4-[4-[8-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[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-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile is sourced from PubChem (CID 138749892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).