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

C45H28N4O — CID 164757744

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccc5c6ccccc6oc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C45H28N4O/c1-5-15-29(16-6-1)33-27-37(30-17-7-2-8-18-30)40-36-26-25-35-34-23-13-14-24-39(34)50-42(35)41(36)49(38(40)28-33)45-47-43(31-19-9-3-10-20-31)46-44(48-45)32-21-11-4-12-22-32/h1-28H
InChIKeyQNACONDPJUXMFI-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 164757744) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID164757744
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccc5c6ccccc6oc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C45H28N4O/c1-5-15-29(16-6-1)33-27-37(30-17-7-2-8-18-30)40-36-26-25-35-34-23-13-14-24-39(34)50-42(35)41(36)49(38(40)28-33)45-47-43(31-19-9-3-10-20-31)46-44(48-45)32-21-11-4-12-22-32/h1-28H
InChIKeyQNACONDPJUXMFI-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;4-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164994834
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 164757797
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 165103058
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
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-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164757806
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
9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087437
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole (CID 164757744) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)c3c4ccc5c6ccccc6oc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is QNACONDPJUXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-5-15-29(16-6-1)33-27-37(30-17-7-2-8-18-30)40-36-26-25-35-34-23-13-14-24-39(34)50-42(35)41(36)49(38(40)28-33)45-47-43(31-19-9-3-10-20-31)46-44(48-45)32-21-11-4-12-22-32/h1-28H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 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)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 164757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).