9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole

C33H28N4O — CID 155606671

IUPAC9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
SMILESCc1cc2c(cc1C)N(c1cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c1)CN2C
InChIInChI=1S/C33H28N4O/c1-22-17-31-32(18-23(22)2)36(21-35(31)3)24-9-8-10-25(19-24)38-26-14-15-28-27-11-4-5-12-29(27)37(30(28)20-26)33-13-6-7-16-34-33/h4-20H,21H2,1-3H3
InChIKeyVYJJTAZSQLGPBW-UHFFFAOYSA-N
MW496.61 g/mol
LogP8.13
Rot. Bonds4

About 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole

9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole (PubChem CID 155606671) has the molecular formula C33H28N4O and a molecular weight of 496.61 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
PubChem CID155606671
Molecular FormulaC33H28N4O
Molecular Weight496.61 g/mol
Exact Mass496.23
IUPAC Name9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
SMILESCc1cc2c(cc1C)N(c1cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c1)CN2C
InChIInChI=1S/C33H28N4O/c1-22-17-31-32(18-23(22)2)36(21-35(31)3)24-9-8-10-25(19-24)38-26-14-15-28-27-11-4-5-12-29(27)37(30(28)20-26)33-13-6-7-16-34-33/h4-20H,21H2,1-3H3
InChIKeyVYJJTAZSQLGPBW-UHFFFAOYSA-N
XLogP8.13
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole 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-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668
2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606545
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
2-[3-[4-(4-methylphenyl)-3H-1,2,4-triazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 159315592
8,8,14-trimethyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diaza-8-germatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene
CID 155616594
8,8,14-trimethyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616528

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The IUPAC name of 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole (CID 155606671) is 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole is Cc1cc2c(cc1C)N(c1cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c1)CN2C.
What is the InChIKey of 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The InChIKey is VYJJTAZSQLGPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O/c1-22-17-31-32(18-23(22)2)36(21-35(31)3)24-9-8-10-25(19-24)38-26-14-15-28-27-11-4-5-12-29(27)37(30(28)20-26)33-13-6-7-16-34-33/h4-20H,21H2,1-3H3.
What are the key properties of 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole has a molecular weight of 496.61 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 155606671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).