2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine

C33H19Br2N3O — CID 118145437

IUPAC2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2c(c1)-c1ccccc1-c1cc(Br)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1O2
InChIInChI=1S/C33H19Br2N3O/c34-22-15-16-29-26(17-22)24-13-7-8-14-25(24)27-18-23(35)19-28(30(27)39-29)33-37-31(20-9-3-1-4-10-20)36-32(38-33)21-11-5-2-6-12-21/h1-19H
InChIKeyQWUVBPOBLXTJAF-UHFFFAOYSA-N
MW633.34 g/mol
LogP9.84
Rot. Bonds3

About 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine

2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 118145437) has the molecular formula C33H19Br2N3O and a molecular weight of 633.34 g/mol. Its IUPAC name is 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID118145437
Molecular FormulaC33H19Br2N3O
Molecular Weight633.34 g/mol
Exact Mass630.99
IUPAC Name2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2c(c1)-c1ccccc1-c1cc(Br)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1O2
InChIInChI=1S/C33H19Br2N3O/c34-22-15-16-29-26(17-22)24-13-7-8-14-25(24)27-18-23(35)19-28(30(27)39-29)33-37-31(20-9-3-1-4-10-20)36-32(38-33)21-11-5-2-6-12-21/h1-19H
InChIKeyQWUVBPOBLXTJAF-UHFFFAOYSA-N
XLogP9.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.34
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine 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-(4-bromo-2-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170658602
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164937287
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164937190
2,4-diphenyl-6-[4-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-6-yl)phenyl]-1,3,5-triazine
CID 170182898
2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156561599
2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166009866
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164937010

Frequently Asked Questions

What is the IUPAC name of 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine (CID 118145437) is 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine is Brc1ccc2c(c1)-c1ccccc1-c1cc(Br)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1O2.
What is the InChIKey of 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QWUVBPOBLXTJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19Br2N3O/c34-22-15-16-29-26(17-22)24-13-7-8-14-25(24)27-18-23(35)19-28(30(27)39-29)33-37-31(20-9-3-1-4-10-20)36-32(38-33)21-11-5-2-6-12-21/h1-19H.
What are the key properties of 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine?
2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 633.34 g/mol, XLogP of 9.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 118145437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).