1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole

C38H30N4O2 — CID 160561549

IUPAC1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
SMILES[2H]C([2H])([2H])N1ON(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6c(C)cccc6C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C38H30N4O2/c1-25-10-8-11-26(2)38(25)27-20-21-39-37(22-27)41-33-15-5-4-14-31(33)32-19-18-30(24-36(32)41)43-29-13-9-12-28(23-29)42-35-17-7-6-16-34(35)40(3)44-42/h4-24H,1-3H3/i3D3
InChIKeyKJRMFWMEALPAGX-HPRDVNIFSA-N
MW577.70 g/mol
LogP9.69
Rot. Bonds6

About 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole

1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole (PubChem CID 160561549) has the molecular formula C38H30N4O2 and a molecular weight of 577.70 g/mol. Its IUPAC name is 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
PubChem CID160561549
Molecular FormulaC38H30N4O2
Molecular Weight577.70 g/mol
Exact Mass577.26
IUPAC Name1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
SMILES[2H]C([2H])([2H])N1ON(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6c(C)cccc6C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C38H30N4O2/c1-25-10-8-11-26(2)38(25)27-20-21-39-37(22-27)41-33-15-5-4-14-31(33)32-19-18-30(24-36(32)41)43-29-13-9-12-28(23-29)42-35-17-7-6-16-34(35)40(3)44-42/h4-24H,1-3H3/i3D3
InChIKeyKJRMFWMEALPAGX-HPRDVNIFSA-N
XLogP9.69
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.70
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole 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

1-methyl-3-[3-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-2,1,3-benzoxadiazole
CID 160885460
2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole
CID 167401965
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-1-yl]phenyl]carbazol-2-amine
CID 162134068
3-tert-butyl-1-[3-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-2,1,3-benzoxadiazole
CID 160885463
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
1-[3-[9-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]fluoren-9-yl]phenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
CID 162232036
1-[3-[[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]-diphenylmethyl]phenyl]-3-propan-2-yl-2,1,3-benzoxadiazole
CID 160953291
1-methyl-3-[3-[2-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole
CID 159702767
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
2-tert-butyl-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-7-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 163754768
2-[3-[3-[2-(4-tert-butylphenyl)-3-methylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651137
9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 163602316

Frequently Asked Questions

What is the IUPAC name of 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole?
The IUPAC name of 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole (CID 160561549) is 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole?
The canonical SMILES for 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole is [2H]C([2H])([2H])N1ON(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6c(C)cccc6C)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole?
The InChIKey is KJRMFWMEALPAGX-HPRDVNIFSA-N. The full InChI is InChI=1S/C38H30N4O2/c1-25-10-8-11-26(2)38(25)27-20-21-39-37(22-27)41-33-15-5-4-14-31(33)32-19-18-30(24-36(32)41)43-29-13-9-12-28(23-29)42-35-17-7-6-16-34(35)40(3)44-42/h4-24H,1-3H3/i3D3.
What are the key properties of 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole?
1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole has a molecular weight of 577.70 g/mol, XLogP of 9.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 160561549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).