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

C45H28N4O — CID 163503973

IUPAC1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-5-15-29(16-6-1)33-25-27-37-40(39(33)45-47-43(30-17-7-2-8-18-30)46-44(48-45)31-19-9-3-10-20-31)41-38(50-37)28-26-35-34-23-13-14-24-36(34)49(42(35)41)32-21-11-4-12-22-32/h1-28H
InChIKeyQEDBSKRTCODODC-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 163503973) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID163503973
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-5-15-29(16-6-1)33-25-27-37-40(39(33)45-47-43(30-17-7-2-8-18-30)46-44(48-45)31-19-9-3-10-20-31)41-38(50-37)28-26-35-34-23-13-14-24-36(34)49(42(35)41)32-21-11-4-12-22-32/h1-28H
InChIKeyQEDBSKRTCODODC-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

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163848310
1-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153460080
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
1-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459573
1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 171591687
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
CID 90321464
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

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole (CID 163503973) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c34)n2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is QEDBSKRTCODODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-5-15-29(16-6-1)33-25-27-37-40(39(33)45-47-43(30-17-7-2-8-18-30)46-44(48-45)31-19-9-3-10-20-31)41-38(50-37)28-26-35-34-23-13-14-24-36(34)49(42(35)41)32-21-11-4-12-22-32/h1-28H.
What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole?
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-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 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 163503973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).