9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole

C51H34N4O — CID 166988242

IUPAC9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)oc3cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)C2C=C1c1ccccc1
InChIInChI=1S/C51H34N4O/c1-4-13-33(14-5-1)38-27-29-42-41-19-10-11-21-44(41)55(45(42)31-38)39-28-30-43-47(32-39)56-46-22-12-20-40(48(43)46)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-32,42,45H
InChIKeyLVXXLUSXQHFVEB-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.70
Rot. Bonds6

About 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole

9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole (PubChem CID 166988242) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole
PubChem CID166988242
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)oc3cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)C2C=C1c1ccccc1
InChIInChI=1S/C51H34N4O/c1-4-13-33(14-5-1)38-27-29-42-41-19-10-11-21-44(41)55(45(42)31-38)39-28-30-43-47(32-39)56-46-22-12-20-40(48(43)46)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-32,42,45H
InChIKeyLVXXLUSXQHFVEB-UHFFFAOYSA-N
XLogP12.70
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole
CID 174271838
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
CID 166918804
9-(4-dibenzofuran-1-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole
CID 171437931
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole?
The IUPAC name of 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole (CID 166988242) is 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole is C1=CC2c3ccccc3N(c3ccc4c(c3)oc3cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)C2C=C1c1ccccc1.
What is the InChIKey of 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole?
The InChIKey is LVXXLUSXQHFVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-13-33(14-5-1)38-27-29-42-41-19-10-11-21-44(41)55(45(42)31-38)39-28-30-43-47(32-39)56-46-22-12-20-40(48(43)46)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-32,42,45H.
What are the key properties of 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole?
9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 718.86 g/mol, XLogP of 12.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 166988242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).