12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole

C39H24N4O — CID 164757804

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc3oc4c(ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1
InChIInChI=1S/C39H24N4O/c1-4-12-25(13-5-1)28-20-23-34-32(24-28)31-22-21-30-29-18-10-11-19-33(29)43(35(30)36(31)44-34)39-41-37(26-14-6-2-7-15-26)40-38(42-39)27-16-8-3-9-17-27/h1-24H
InChIKeyYRSSDGSSYUDBIR-UHFFFAOYSA-N
MW564.65 g/mol
LogP9.87
Rot. Bonds4

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 164757804) has the molecular formula C39H24N4O and a molecular weight of 564.65 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID164757804
Molecular FormulaC39H24N4O
Molecular Weight564.65 g/mol
Exact Mass564.20
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc3oc4c(ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1
InChIInChI=1S/C39H24N4O/c1-4-12-25(13-5-1)28-20-23-34-32(24-28)31-22-21-30-29-18-10-11-19-33(29)43(35(30)36(31)44-34)39-41-37(26-14-6-2-7-15-26)40-38(42-39)27-16-8-3-9-17-27/h1-24H
InChIKeyYRSSDGSSYUDBIR-UHFFFAOYSA-N
XLogP9.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163611677
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164757806
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164757777
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole (CID 164757804) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc3oc4c(ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is YRSSDGSSYUDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O/c1-4-12-25(13-5-1)28-20-23-34-32(24-28)31-22-21-30-29-18-10-11-19-33(29)43(35(30)36(31)44-34)39-41-37(26-14-6-2-7-15-26)40-38(42-39)27-16-8-3-9-17-27/h1-24H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 564.65 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 164757804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).