4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile

C54H32N4 — CID 166868486

IUPAC4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)n4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C54H32N4/c55-33-34-20-22-35(23-21-34)36-24-26-38(27-25-36)50-43-15-5-4-10-37(43)28-29-49(50)54-57-52(39-11-2-1-3-12-39)56-53(58-54)41-14-8-13-40(32-41)42-30-31-48-45-17-7-6-16-44(45)47-19-9-18-46(42)51(47)48/h1-32H
InChIKeyCNMUPIIIBYQGRU-UHFFFAOYSA-N
MW736.88 g/mol
LogP13.70
Rot. Bonds6

About 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile

4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 166868486) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
PubChem CID166868486
Molecular FormulaC54H32N4
Molecular Weight736.88 g/mol
Exact Mass736.26
IUPAC Name4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)n4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C54H32N4/c55-33-34-20-22-35(23-21-34)36-24-26-38(27-25-36)50-43-15-5-4-10-37(43)28-29-49(50)54-57-52(39-11-2-1-3-12-39)56-53(58-54)41-14-8-13-40(32-41)42-30-31-48-45-17-7-6-16-44(45)47-19-9-18-46(42)51(47)48/h1-32H
InChIKeyCNMUPIIIBYQGRU-UHFFFAOYSA-N
XLogP13.70
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756351
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
4-[4-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-1-yl]fluoranthen-3-yl]phenyl]benzonitrile
CID 165376445
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
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
4-[3-[4-(2,3-dinaphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297263
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643
4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 160995339
3-[2-[4-[4-[4-[8-(4-cyanophenyl)-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]benzonitrile
CID 138750058

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile (CID 166868486) is 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)n4)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
The InChIKey is CNMUPIIIBYQGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4/c55-33-34-20-22-35(23-21-34)36-24-26-38(27-25-36)50-43-15-5-4-10-37(43)28-29-49(50)54-57-52(39-11-2-1-3-12-39)56-53(58-54)41-14-8-13-40(32-41)42-30-31-48-45-17-7-6-16-44(45)47-19-9-18-46(42)51(47)48/h1-32H.
What are the key properties of 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile?
4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 736.88 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 166868486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).