2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile

C114H68N12 — CID 138750131

IUPAC2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11cccc(-c%12ccc(-c%13ccccc%13C#N)cc%12)c%10%11)n9)c8)ccc(-c8ccc(-c9cccc(C#N)c9)cc8)c67)n5)cc4)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1
InChIInChI=1S/C114H68N12/c115-69-72-43-45-74(46-44-72)75-47-51-80(52-48-75)96-65-63-93(98-38-19-41-101(104(96)98)113-122-106(83-22-5-1-6-23-83)118-107(123-113)84-24-7-2-8-25-84)78-59-61-87(62-60-78)110-119-108(85-26-9-3-10-27-85)124-114(125-110)102-42-20-39-99-94(64-66-97(105(99)102)81-53-49-76(50-54-81)88-33-15-21-73(67-88)70-116)89-34-16-35-90(68-89)111-120-109(86-28-11-4-12-29-86)121-112(126-111)100-40-18-32-82-31-17-37-95(103(82)100)79-57-55-77(56-58-79)92-36-14-13-30-91(92)71-117/h1-68H
InChIKeyFUMOPJZTEOXITC-UHFFFAOYSA-N
MW1605.88 g/mol
LogP27.66
Rot. Bonds17

About 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile

2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 138750131) has the molecular formula C114H68N12 and a molecular weight of 1605.88 g/mol. Its IUPAC name is 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
PubChem CID138750131
Molecular FormulaC114H68N12
Molecular Weight1605.88 g/mol
Exact Mass1604.57
IUPAC Name2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11cccc(-c%12ccc(-c%13ccccc%13C#N)cc%12)c%10%11)n9)c8)ccc(-c8ccc(-c9cccc(C#N)c9)cc8)c67)n5)cc4)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1
InChIInChI=1S/C114H68N12/c115-69-72-43-45-74(46-44-72)75-47-51-80(52-48-75)96-65-63-93(98-38-19-41-101(104(96)98)113-122-106(83-22-5-1-6-23-83)118-107(123-113)84-24-7-2-8-25-84)78-59-61-87(62-60-78)110-119-108(85-26-9-3-10-27-85)124-114(125-110)102-42-20-39-99-94(64-66-97(105(99)102)81-53-49-76(50-54-81)88-33-15-21-73(67-88)70-116)89-34-16-35-90(68-89)111-120-109(86-28-11-4-12-29-86)121-112(126-111)100-40-18-32-82-31-17-37-95(103(82)100)79-57-55-77(56-58-79)92-36-14-13-30-91(92)71-117/h1-68H
InChIKeyFUMOPJZTEOXITC-UHFFFAOYSA-N
XLogP27.66
TPSA187.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.88
LogP ≤ 527.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile with MolForge

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Related Compounds

3-[4-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 165013050
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 159152181
4-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]phenyl]benzonitrile
CID 165376050
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
CID 166868486
3-[3-[4-phenyl-6-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174364340
2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 138750105
bis(2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile);3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[8-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160509145
3-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314601
3-[3-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzonitrile
CID 174314608

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile (CID 138750131) is 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11cccc(-c%12ccc(-c%13ccccc%13C#N)cc%12)c%10%11)n9)c8)ccc(-c8ccc(-c9cccc(C#N)c9)cc8)c67)n5)cc4)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1.
What is the InChIKey of 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
The InChIKey is FUMOPJZTEOXITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N12/c115-69-72-43-45-74(46-44-72)75-47-51-80(52-48-75)96-65-63-93(98-38-19-41-101(104(96)98)113-122-106(83-22-5-1-6-23-83)118-107(123-113)84-24-7-2-8-25-84)78-59-61-87(62-60-78)110-119-108(85-26-9-3-10-27-85)124-114(125-110)102-42-20-39-99-94(64-66-97(105(99)102)81-53-49-76(50-54-81)88-33-15-21-73(67-88)70-116)89-34-16-35-90(68-89)111-120-109(86-28-11-4-12-29-86)121-112(126-111)100-40-18-32-82-31-17-37-95(103(82)100)79-57-55-77(56-58-79)92-36-14-13-30-91(92)71-117/h1-68H.
What are the key properties of 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 1605.88 g/mol, XLogP of 27.66, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 138750131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).