2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol

C40H29N3O2 — CID 176606407

IUPAC2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol
SMILESCc1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)cc(C)c12
InChIInChI=1S/C40H29N3O2/c1-25-17-20-36(44)40-39(25)26(2)21-38(42-40)45-30-18-19-32-31-15-9-10-16-34(31)43(35(32)24-30)37-23-29(27-11-5-3-6-12-27)22-33(41-37)28-13-7-4-8-14-28/h3-24,44H,1-2H3
InChIKeyBRWYKCIYSXIGKM-UHFFFAOYSA-N
MW583.69 g/mol
LogP10.18
Rot. Bonds5

About 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol

2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol (PubChem CID 176606407) has the molecular formula C40H29N3O2 and a molecular weight of 583.69 g/mol. Its IUPAC name is 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol.

Molecular Properties

Compound Name2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol
PubChem CID176606407
Molecular FormulaC40H29N3O2
Molecular Weight583.69 g/mol
Exact Mass583.23
IUPAC Name2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol
SMILESCc1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)cc(C)c12
InChIInChI=1S/C40H29N3O2/c1-25-17-20-36(44)40-39(25)26(2)21-38(42-40)45-30-18-19-32-31-15-9-10-16-34(31)43(35(32)24-30)37-23-29(27-11-5-3-6-12-27)22-33(41-37)28-13-7-4-8-14-28/h3-24,44H,1-2H3
InChIKeyBRWYKCIYSXIGKM-UHFFFAOYSA-N
XLogP10.18
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol with MolForge

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Related Compounds

4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606282
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid
CID 140890322
11-(4,6-diphenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330805
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606140

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol?
The IUPAC name of 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol (CID 176606407) is 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol.
What is the SMILES notation for 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol?
The canonical SMILES for 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol is Cc1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)cc(C)c12.
What is the InChIKey of 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol?
The InChIKey is BRWYKCIYSXIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3O2/c1-25-17-20-36(44)40-39(25)26(2)21-38(42-40)45-30-18-19-32-31-15-9-10-16-34(31)43(35(32)24-30)37-23-29(27-11-5-3-6-12-27)22-33(41-37)28-13-7-4-8-14-28/h3-24,44H,1-2H3.
What are the key properties of 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol?
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol has a molecular weight of 583.69 g/mol, XLogP of 10.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol is sourced from PubChem (CID 176606407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).