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

C99H64N8 — CID 138749871

IUPAC7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)c(-c9ccc(-c%10ccnc%11ccccc%10%11)cc9)ccc78)c6)n5)cc4)cc3)cc21
InChIInChI=1S/C99H64N8/c1-99(2)88-58-62(61-100)32-51-84(88)85-53-50-75(60-89(85)99)63-33-35-66(36-34-63)81-52-49-64-18-12-13-27-80(64)91(81)68-41-45-74(46-42-68)97-105-95(72-23-10-5-11-24-72)106-98(107-97)77-26-16-25-76(59-77)78-29-17-30-87-83(78)55-54-82(67-39-37-65(38-40-67)79-56-57-101-90-31-15-14-28-86(79)90)92(87)69-43-47-73(48-44-69)96-103-93(70-19-6-3-7-20-70)102-94(104-96)71-21-8-4-9-22-71/h3-60H,1-2H3
InChIKeyIABUNGZYSBINIO-UHFFFAOYSA-N
MW1365.66 g/mol
LogP24.76
Rot. Bonds13

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

7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile (PubChem CID 138749871) has the molecular formula C99H64N8 and a molecular weight of 1365.66 g/mol. Its IUPAC name is 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
PubChem CID138749871
Molecular FormulaC99H64N8
Molecular Weight1365.66 g/mol
Exact Mass1364.53
IUPAC Name7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)c(-c9ccc(-c%10ccnc%11ccccc%10%11)cc9)ccc78)c6)n5)cc4)cc3)cc21
InChIInChI=1S/C99H64N8/c1-99(2)88-58-62(61-100)32-51-84(88)85-53-50-75(60-89(85)99)63-33-35-66(36-34-63)81-52-49-64-18-12-13-27-80(64)91(81)68-41-45-74(46-42-68)97-105-95(72-23-10-5-11-24-72)106-98(107-97)77-26-16-25-76(59-77)78-29-17-30-87-83(78)55-54-82(67-39-37-65(38-40-67)79-56-57-101-90-31-15-14-28-86(79)90)92(87)69-43-47-73(48-44-69)96-103-93(70-19-6-3-7-20-70)102-94(104-96)71-21-8-4-9-22-71/h3-60H,1-2H3
InChIKeyIABUNGZYSBINIO-UHFFFAOYSA-N
XLogP24.76
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.66
LogP ≤ 524.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile with MolForge

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Related Compounds

7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[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-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749895
6-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-11,11-dimethylbenzo[b]fluorene-2-carbonitrile
CID 161105565
9,9-dimethyl-7-[3-(1,10-phenanthrolin-4-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile
CID 171422020
9,9-dimethyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile;9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 163578084
9,9-dimethyl-7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]fluorene-2-carbonitrile
CID 171421555
9,9-dimethyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]fluorene-2-carbonitrile
CID 171422045
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
9,9-dimethyl-7-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]fluorene-2-carbonitrile
CID 170371664
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
7-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile;methane
CID 160828918
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 162776047
9,9-dimethyl-6-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 162775792

Frequently Asked Questions

What is the IUPAC name of 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The IUPAC name of 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile (CID 138749871) is 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile.
What is the SMILES notation for 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The canonical SMILES for 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)c(-c9ccc(-c%10ccnc%11ccccc%10%11)cc9)ccc78)c6)n5)cc4)cc3)cc21.
What is the InChIKey of 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The InChIKey is IABUNGZYSBINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H64N8/c1-99(2)88-58-62(61-100)32-51-84(88)85-53-50-75(60-89(85)99)63-33-35-66(36-34-63)81-52-49-64-18-12-13-27-80(64)91(81)68-41-45-74(46-42-68)97-105-95(72-23-10-5-11-24-72)106-98(107-97)77-26-16-25-76(59-77)78-29-17-30-87-83(78)55-54-82(67-39-37-65(38-40-67)79-56-57-101-90-31-15-14-28-86(79)90)92(87)69-43-47-73(48-44-69)96-103-93(70-19-6-3-7-20-70)102-94(104-96)71-21-8-4-9-22-71/h3-60H,1-2H3.
What are the key properties of 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile has a molecular weight of 1365.66 g/mol, XLogP of 24.76, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile is sourced from PubChem (CID 138749871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).