5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile

C55H34N4 — CID 162776368

IUPAC5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
SMILESN#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C55H34N4/c56-35-44-17-11-23-48-50(44)51-47(22-12-24-49(51)55(48,45-18-3-1-4-19-45)46-20-5-2-6-21-46)38-27-29-39(30-28-38)52-57-53(42-31-25-36-13-7-9-15-40(36)33-42)59-54(58-52)43-32-26-37-14-8-10-16-41(37)34-43/h1-34H
InChIKeyKCWWIWKFYYLZDZ-UHFFFAOYSA-N
MW750.91 g/mol
LogP13.08
Rot. Bonds6

About 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile

5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile (PubChem CID 162776368) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
PubChem CID162776368
Molecular FormulaC55H34N4
Molecular Weight750.91 g/mol
Exact Mass750.28
IUPAC Name5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
SMILESN#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C55H34N4/c56-35-44-17-11-23-48-50(44)51-47(22-12-24-49(51)55(48,45-18-3-1-4-19-45)46-20-5-2-6-21-46)38-27-29-39(30-28-38)52-57-53(42-31-25-36-13-7-9-15-40(36)33-42)59-54(58-52)43-32-26-37-14-8-10-16-41(37)34-43/h1-34H
InChIKeyKCWWIWKFYYLZDZ-UHFFFAOYSA-N
XLogP13.08
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-naphthalen-1-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
CID 162775821
5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
CID 162776457
9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
CID 166796555
5'-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
CID 162775862
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146221100
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-carbonitrile
CID 153452226
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-4-yl]benzonitrile
CID 155765164
2-[3-(2-naphthalen-2-yl-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 137413712
3-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 169297144
4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297341

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile?
The IUPAC name of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile (CID 162776368) is 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile.
What is the SMILES notation for 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile?
The canonical SMILES for 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile is N#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile?
The InChIKey is KCWWIWKFYYLZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c56-35-44-17-11-23-48-50(44)51-47(22-12-24-49(51)55(48,45-18-3-1-4-19-45)46-20-5-2-6-21-46)38-27-29-39(30-28-38)52-57-53(42-31-25-36-13-7-9-15-40(36)33-42)59-54(58-52)43-32-26-37-14-8-10-16-41(37)34-43/h1-34H.
What are the key properties of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile?
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile has a molecular weight of 750.91 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile is sourced from PubChem (CID 162776368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).