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

C94H62N8 — CID 138750123

IUPAC7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cccc(C#N)c%11-%12)c%11ccccc%10%11)cc9)n8)cc7)cc6)n5)cc4)c4ccccc34)cc21
InChIInChI=1S/C94H62N8/c1-93(2)82-25-15-20-70(56-96)86(82)81-47-44-69(54-85(81)93)74-51-49-72(76-22-12-14-24-78(74)76)61-33-41-67(42-34-61)92-100-88(63-18-9-6-10-19-63)98-90(102-92)65-37-29-59(30-38-65)58-27-35-64(36-28-58)89-97-87(62-16-7-5-8-17-62)99-91(101-89)66-39-31-60(32-40-66)71-48-50-73(77-23-13-11-21-75(71)77)68-43-46-80-79-45-26-57(55-95)52-83(79)94(3,4)84(80)53-68/h5-54H,1-4H3
InChIKeyYFKBZGWEFUKYEB-UHFFFAOYSA-N
MW1303.59 g/mol
LogP23.06
Rot. Bonds11

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

7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile (PubChem CID 138750123) has the molecular formula C94H62N8 and a molecular weight of 1303.59 g/mol. Its IUPAC name is 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile.

Molecular Properties

Compound Name7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile
PubChem CID138750123
Molecular FormulaC94H62N8
Molecular Weight1303.59 g/mol
Exact Mass1302.51
IUPAC Name7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cccc(C#N)c%11-%12)c%11ccccc%10%11)cc9)n8)cc7)cc6)n5)cc4)c4ccccc34)cc21
InChIInChI=1S/C94H62N8/c1-93(2)82-25-15-20-70(56-96)86(82)81-47-44-69(54-85(81)93)74-51-49-72(76-22-12-14-24-78(74)76)61-33-41-67(42-34-61)92-100-88(63-18-9-6-10-19-63)98-90(102-92)65-37-29-59(30-38-65)58-27-35-64(36-28-58)89-97-87(62-16-7-5-8-17-62)99-91(101-89)66-39-31-60(32-40-66)71-48-50-73(77-23-13-11-21-75(71)77)68-43-46-80-79-45-26-57(55-95)52-83(79)94(3,4)84(80)53-68/h5-54H,1-4H3
InChIKeyYFKBZGWEFUKYEB-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-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile?
The IUPAC name of 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile (CID 138750123) is 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile.
What is the SMILES notation for 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile?
The canonical SMILES for 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cccc(C#N)c%11-%12)c%11ccccc%10%11)cc9)n8)cc7)cc6)n5)cc4)c4ccccc34)cc21.
What is the InChIKey of 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile?
The InChIKey is YFKBZGWEFUKYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H62N8/c1-93(2)82-25-15-20-70(56-96)86(82)81-47-44-69(54-85(81)93)74-51-49-72(76-22-12-14-24-78(74)76)61-33-41-67(42-34-61)92-100-88(63-18-9-6-10-19-63)98-90(102-92)65-37-29-59(30-38-65)58-27-35-64(36-28-58)89-97-87(62-16-7-5-8-17-62)99-91(101-89)66-39-31-60(32-40-66)71-48-50-73(77-23-13-11-21-75(71)77)68-43-46-80-79-45-26-57(55-95)52-83(79)94(3,4)84(80)53-68/h5-54H,1-4H3.
What are the key properties of 7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile?
7-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-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-[4-[4-[4-[4-[4-[4-[4-[4-(7-cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile is sourced from PubChem (CID 138750123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).