9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile

C40H24FN5 — CID 138549714

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(F)c2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C40H24FN5/c41-31-15-9-14-29(23-31)30-19-20-33(37(24-30)46-35-17-8-7-16-32(35)34-22-26(25-42)18-21-36(34)46)40-44-38(27-10-3-1-4-11-27)43-39(45-40)28-12-5-2-6-13-28/h1-24H
InChIKeyBPJZXVKRGJPTAY-UHFFFAOYSA-N
MW593.67 g/mol
LogP9.65
Rot. Bonds5

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 138549714) has the molecular formula C40H24FN5 and a molecular weight of 593.67 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile
PubChem CID138549714
Molecular FormulaC40H24FN5
Molecular Weight593.67 g/mol
Exact Mass593.20
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(F)c2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C40H24FN5/c41-31-15-9-14-29(23-31)30-19-20-33(37(24-30)46-35-17-8-7-16-32(35)34-22-26(25-42)18-21-36(34)46)40-44-38(27-10-3-1-4-11-27)43-39(45-40)28-12-5-2-6-13-28/h1-24H
InChIKeyBPJZXVKRGJPTAY-UHFFFAOYSA-N
XLogP9.65
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.67
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-fluorophenyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142555837
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
4-carbazol-9-yl-3-[4-[2-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664743
9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 138570297
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 155003380
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035606
3-[3-(3-cyanophenyl)carbazol-9-yl]-4-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003306
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476143
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]benzonitrile
CID 154603008
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
3-[3-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035495
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 142543910

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile (CID 138549714) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(F)c2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is BPJZXVKRGJPTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24FN5/c41-31-15-9-14-29(23-31)30-19-20-33(37(24-30)46-35-17-8-7-16-32(35)34-22-26(25-42)18-21-36(34)46)40-44-38(27-10-3-1-4-11-27)43-39(45-40)28-12-5-2-6-13-28/h1-24H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 593.67 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 138549714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).