1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile

C52H30N6O — CID 155131785

IUPAC1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc12
InChIInChI=1S/C52H30N6O/c53-31-40-45(57-41-26-11-7-20-34(41)35-21-8-12-27-42(35)57)30-46(58-43-28-13-9-22-36(43)37-23-10-14-29-44(37)58)47-38-24-15-25-39(48(38)59-49(40)47)52-55-50(32-16-3-1-4-17-32)54-51(56-52)33-18-5-2-6-19-33/h1-30H
InChIKeyHIHCOXOLTSKOHJ-UHFFFAOYSA-N
MW754.85 g/mol
LogP12.84
Rot. Bonds5

About 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile

1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile (PubChem CID 155131785) has the molecular formula C52H30N6O and a molecular weight of 754.85 g/mol. Its IUPAC name is 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile
PubChem CID155131785
Molecular FormulaC52H30N6O
Molecular Weight754.85 g/mol
Exact Mass754.25
IUPAC Name1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc12
InChIInChI=1S/C52H30N6O/c53-31-40-45(57-41-26-11-7-20-34(41)35-21-8-12-27-42(35)57)30-46(58-43-28-13-9-22-36(43)37-23-10-14-29-44(37)58)47-38-24-15-25-39(48(38)59-49(40)47)52-55-50(32-16-3-1-4-17-32)54-51(56-52)33-18-5-2-6-19-33/h1-30H
InChIKeyHIHCOXOLTSKOHJ-UHFFFAOYSA-N
XLogP12.84
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile
CID 155131599
6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-carbonitrile
CID 164821811
2,4-bis(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155139809
3,4-bis(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-carbonitrile
CID 155139853
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
CID 155203344
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059867
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187

Frequently Asked Questions

What is the IUPAC name of 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile?
The IUPAC name of 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile (CID 155131785) is 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile.
What is the SMILES notation for 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile?
The canonical SMILES for 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc12.
What is the InChIKey of 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile?
The InChIKey is HIHCOXOLTSKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N6O/c53-31-40-45(57-41-26-11-7-20-34(41)35-21-8-12-27-42(35)57)30-46(58-43-28-13-9-22-36(43)37-23-10-14-29-44(37)58)47-38-24-15-25-39(48(38)59-49(40)47)52-55-50(32-16-3-1-4-17-32)54-51(56-52)33-18-5-2-6-19-33/h1-30H.
What are the key properties of 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile?
1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile has a molecular weight of 754.85 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile is sourced from PubChem (CID 155131785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).