9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole

C51H32N4O — CID 170078239

IUPAC9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)38-22-10-11-25-42(38)51-53-49(35-20-8-3-9-21-35)52-50(54-51)36-28-29-41-44-32-37(31-43(34-18-6-2-7-19-34)48(44)56-47(41)30-36)55-45-26-14-12-23-39(45)40-24-13-15-27-46(40)55/h1-32H
InChIKeyDDAWDNMMZDOJPW-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole

9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 170078239) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID170078239
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)38-22-10-11-25-42(38)51-53-49(35-20-8-3-9-21-35)52-50(54-51)36-28-29-41-44-32-37(31-43(34-18-6-2-7-19-34)48(44)56-47(41)30-36)55-45-26-14-12-23-39(45)40-24-13-15-27-46(40)55/h1-32H
InChIKeyDDAWDNMMZDOJPW-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495859
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495942
9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228264
2-carbazol-9-yl-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097738
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228295
7-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]benzo[c]carbazole
CID 166496105
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 166495968
9-[3-[4-[2-carbazol-9-yl-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780713
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 166495925
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 168809458
9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170228291

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (CID 170078239) is 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is DDAWDNMMZDOJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-16-33(17-5-1)38-22-10-11-25-42(38)51-53-49(35-20-8-3-9-21-35)52-50(54-51)36-28-29-41-44-32-37(31-43(34-18-6-2-7-19-34)48(44)56-47(41)30-36)55-45-26-14-12-23-39(45)40-24-13-15-27-46(40)55/h1-32H.
What are the key properties of 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 170078239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).