2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol

C39H35N3O2 — CID 176606765

IUPAC2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol
SMILESCC(C)c1cc(Oc2ccc3c4c(-c5ccccc5)cccc4n(-c4ccc(C(C)(C)C)cn4)c3c2)nc2c(O)cccc12
InChIInChI=1S/C39H35N3O2/c1-24(2)31-22-36(41-38-29(31)14-10-16-34(38)43)44-27-18-19-30-33(21-27)42(35-20-17-26(23-40-35)39(3,4)5)32-15-9-13-28(37(30)32)25-11-7-6-8-12-25/h6-24,43H,1-5H3
InChIKeySGNURBWCKKXSJF-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.31
Rot. Bonds5

About 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol

2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol (PubChem CID 176606765) has the molecular formula C39H35N3O2 and a molecular weight of 577.73 g/mol. Its IUPAC name is 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol.

Molecular Properties

Compound Name2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol
PubChem CID176606765
Molecular FormulaC39H35N3O2
Molecular Weight577.73 g/mol
Exact Mass577.27
IUPAC Name2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol
SMILESCC(C)c1cc(Oc2ccc3c4c(-c5ccccc5)cccc4n(-c4ccc(C(C)(C)C)cn4)c3c2)nc2c(O)cccc12
InChIInChI=1S/C39H35N3O2/c1-24(2)31-22-36(41-38-29(31)14-10-16-34(38)43)44-27-18-19-30-33(21-27)42(35-20-17-26(23-40-35)39(3,4)5)32-15-9-13-28(37(30)32)25-11-7-6-8-12-25/h6-24,43H,1-5H3
InChIKeySGNURBWCKKXSJF-UHFFFAOYSA-N
XLogP10.31
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[9-(5-ethyl-2-pyridinyl)-5-propan-2-ylcarbazol-2-yl]oxy-5-propan-2-ylquinolin-8-ol
CID 176606181
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
CID 176605878
2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606600
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
CID 176606114
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-5-phenylcarbazole
CID 155652581
2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol
CID 176606245
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol
CID 176606407

Frequently Asked Questions

What is the IUPAC name of 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol?
The IUPAC name of 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol (CID 176606765) is 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol.
What is the SMILES notation for 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol?
The canonical SMILES for 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol is CC(C)c1cc(Oc2ccc3c4c(-c5ccccc5)cccc4n(-c4ccc(C(C)(C)C)cn4)c3c2)nc2c(O)cccc12.
What is the InChIKey of 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol?
The InChIKey is SGNURBWCKKXSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N3O2/c1-24(2)31-22-36(41-38-29(31)14-10-16-34(38)43)44-27-18-19-30-33(21-27)42(35-20-17-26(23-40-35)39(3,4)5)32-15-9-13-28(37(30)32)25-11-7-6-8-12-25/h6-24,43H,1-5H3.
What are the key properties of 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol?
2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol has a molecular weight of 577.73 g/mol, XLogP of 10.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol is sourced from PubChem (CID 176606765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).