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

C45H28N4O — CID 164757806

IUPAC3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7oc6c54)n3)c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)32-19-12-20-34(27-32)44-46-43(31-17-8-3-9-18-31)47-45(48-44)49-39-26-23-33(30-15-6-2-7-16-30)28-38(39)36-24-25-37-35-21-10-11-22-40(35)50-42(37)41(36)49/h1-28H
InChIKeyLTVWNXOAMUUOBK-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 164757806) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID164757806
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7oc6c54)n3)c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)32-19-12-20-34(27-32)44-46-43(31-17-8-3-9-18-31)47-45(48-44)49-39-26-23-33(30-15-6-2-7-16-30)28-38(39)36-24-25-37-35-21-10-11-22-40(35)50-42(37)41(36)49/h1-28H
InChIKeyLTVWNXOAMUUOBK-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

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
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-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757804
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
diphenyl-[phenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]methyl]-λ3-iodane
CID 163716847
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
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
12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163786854
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 164757806) is 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7oc6c54)n3)c2)cc1.
What is the InChIKey of 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is LTVWNXOAMUUOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-13-29(14-5-1)32-19-12-20-34(27-32)44-46-43(31-17-8-3-9-18-31)47-45(48-44)49-39-26-23-33(30-15-6-2-7-16-30)28-38(39)36-24-25-37-35-21-10-11-22-40(35)50-42(37)41(36)49/h1-28H.
What are the key properties of 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[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 3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 164757806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).