7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

C51H31N5O — CID 163681880

IUPAC7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)c65)c43)c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-15-32(16-4-1)34-19-13-20-35(31-34)55-42-25-10-9-23-38(42)39-29-30-40-46-41(24-14-28-45(46)57-48(40)47(39)55)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-43-26-11-7-21-36(43)37-22-8-12-27-44(37)56/h1-31H
InChIKeyWWHYDUCFDJDTCD-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

About 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 163681880) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID163681880
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)c65)c43)c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-15-32(16-4-1)34-19-13-20-35(31-34)55-42-25-10-9-23-38(42)39-29-30-40-46-41(24-14-28-45(46)57-48(40)47(39)55)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-43-26-11-7-21-36(43)37-22-8-12-27-44(37)56/h1-31H
InChIKeyWWHYDUCFDJDTCD-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[3-(4-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163547856
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163853917
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758308
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758260
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165012707
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
11-(3-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758341
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163856123

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (CID 163681880) is 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)c65)c43)c2)cc1.
What is the InChIKey of 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is WWHYDUCFDJDTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-3-15-32(16-4-1)34-19-13-20-35(31-34)55-42-25-10-9-23-38(42)39-29-30-40-46-41(24-14-28-45(46)57-48(40)47(39)55)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-43-26-11-7-21-36(43)37-22-8-12-27-44(37)56/h1-31H.
What are the key properties of 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163681880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).