2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole

C40H25N5O — CID 155444593

IUPAC2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5nc6ccccc6o5)cccc43)n2)cc1
InChIInChI=1S/C40H25N5O/c1-3-14-26(15-4-1)37-42-38(27-16-5-2-6-17-27)44-39(43-37)29-19-8-11-23-33(29)45-32-22-10-7-18-28(32)36-30(20-13-24-34(36)45)40-41-31-21-9-12-25-35(31)46-40/h1-25H
InChIKeySWNXYIQPVHNHQL-UHFFFAOYSA-N
MW591.67 g/mol
LogP9.78
Rot. Bonds5

About 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole

2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole (PubChem CID 155444593) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
PubChem CID155444593
Molecular FormulaC40H25N5O
Molecular Weight591.67 g/mol
Exact Mass591.21
IUPAC Name2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5nc6ccccc6o5)cccc43)n2)cc1
InChIInChI=1S/C40H25N5O/c1-3-14-26(15-4-1)37-42-38(27-16-5-2-6-17-27)44-39(43-37)29-19-8-11-23-33(29)45-32-22-10-7-18-28(32)36-30(20-13-24-34(36)45)40-41-31-21-9-12-25-35(31)46-40/h1-25H
InChIKeySWNXYIQPVHNHQL-UHFFFAOYSA-N
XLogP9.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 149084816
4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273028
2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583272
2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 149472861
2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 160878604
2-[2-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583167
2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 149442603
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273198
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
9-(2-dibenzofuran-3-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438000

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole (CID 155444593) is 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5nc6ccccc6o5)cccc43)n2)cc1.
What is the InChIKey of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole?
The InChIKey is SWNXYIQPVHNHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c1-3-14-26(15-4-1)37-42-38(27-16-5-2-6-17-27)44-39(43-37)29-19-8-11-23-33(29)45-32-22-10-7-18-28(32)36-30(20-13-24-34(36)45)40-41-31-21-9-12-25-35(31)46-40/h1-25H.
What are the key properties of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole?
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole has a molecular weight of 591.67 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 155444593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).