9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole

C51H38N4O — CID 118507900

IUPAC9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C7CCCCC7)cc6)cc5c34)n2)cc1
InChIInChI=1S/C51H38N4O/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)55-44-21-11-10-19-40(44)42-31-37(25-29-45(42)55)38-26-30-46-43(32-38)48-41(20-12-22-47(48)56-46)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h2-3,6-12,15-33H,1,4-5,13-14H2
InChIKeyUHSMBRFJMPYDCS-UHFFFAOYSA-N
MW722.89 g/mol
LogP13.58
Rot. Bonds6

About 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole

9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole (PubChem CID 118507900) has the molecular formula C51H38N4O and a molecular weight of 722.89 g/mol. Its IUPAC name is 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
PubChem CID118507900
Molecular FormulaC51H38N4O
Molecular Weight722.89 g/mol
Exact Mass722.30
IUPAC Name9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C7CCCCC7)cc6)cc5c34)n2)cc1
InChIInChI=1S/C51H38N4O/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)55-44-21-11-10-19-40(44)42-31-37(25-29-45(42)55)38-26-30-46-43(32-38)48-41(20-12-22-47(48)56-46)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h2-3,6-12,15-33H,1,4-5,13-14H2
InChIKeyUHSMBRFJMPYDCS-UHFFFAOYSA-N
XLogP13.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 155039402
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
2-[9-(4-cyclohexylphenyl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 140916221
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole (CID 118507900) is 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C7CCCCC7)cc6)cc5c34)n2)cc1.
What is the InChIKey of 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is UHSMBRFJMPYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N4O/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)55-44-21-11-10-19-40(44)42-31-37(25-29-45(42)55)38-26-30-46-43(32-38)48-41(20-12-22-47(48)56-46)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h2-3,6-12,15-33H,1,4-5,13-14H2.
What are the key properties of 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 722.89 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 118507900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).