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

C46H27N5O2 — CID 149084816

IUPAC2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1
InChIInChI=1S/C46H27N5O2/c1-2-13-28(14-3-1)43-48-44(29-15-10-16-30(27-29)51-36-22-7-4-17-31(36)32-18-5-8-23-37(32)51)50-45(49-43)33-19-11-25-39-41(33)42-34(20-12-26-40(42)52-39)46-47-35-21-6-9-24-38(35)53-46/h1-27H
InChIKeyQRAQEFGGKMRJNO-UHFFFAOYSA-N
MW681.76 g/mol
LogP11.68
Rot. Bonds5

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

2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole (PubChem CID 149084816) has the molecular formula C46H27N5O2 and a molecular weight of 681.76 g/mol. Its IUPAC name is 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
PubChem CID149084816
Molecular FormulaC46H27N5O2
Molecular Weight681.76 g/mol
Exact Mass681.22
IUPAC Name2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1
InChIInChI=1S/C46H27N5O2/c1-2-13-28(14-3-1)43-48-44(29-15-10-16-30(27-29)51-36-22-7-4-17-31(36)32-18-5-8-23-37(32)51)50-45(49-43)33-19-11-25-39-41(33)42-34(20-12-26-40(42)52-39)46-47-35-21-6-9-24-38(35)53-46/h1-27H
InChIKeyQRAQEFGGKMRJNO-UHFFFAOYSA-N
XLogP11.68
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.76
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-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

2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 153087373
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
CID 155444593
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162504557
2-[3-[12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166582879
9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 157395977
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661239
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592032

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole (CID 149084816) is 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1.
What is the InChIKey of 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole?
The InChIKey is QRAQEFGGKMRJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5O2/c1-2-13-28(14-3-1)43-48-44(29-15-10-16-30(27-29)51-36-22-7-4-17-31(36)32-18-5-8-23-37(32)51)50-45(49-43)33-19-11-25-39-41(33)42-34(20-12-26-40(42)52-39)46-47-35-21-6-9-24-38(35)53-46/h1-27H.
What are the key properties of 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole?
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole has a molecular weight of 681.76 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 149084816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).