2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol

C36H35N3O2 — CID 164823591

IUPAC2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol
SMILESCC(C)(C)c1cccc(-n2c3ccccc3c3ccc(Oc4cc(C(C)(C)C)cc(-c5ccccc5O)n4)nc32)c1
InChIInChI=1S/C36H35N3O2/c1-35(2,3)23-12-11-13-25(20-23)39-30-16-9-7-14-26(30)27-18-19-32(38-34(27)39)41-33-22-24(36(4,5)6)21-29(37-33)28-15-8-10-17-31(28)40/h7-22,40H,1-6H3
InChIKeyMMUYSUKXGBOSOP-UHFFFAOYSA-N
MW541.70 g/mol
LogP9.33
Rot. Bonds4

About 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol

2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol (PubChem CID 164823591) has the molecular formula C36H35N3O2 and a molecular weight of 541.70 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol
PubChem CID164823591
Molecular FormulaC36H35N3O2
Molecular Weight541.70 g/mol
Exact Mass541.27
IUPAC Name2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol
SMILESCC(C)(C)c1cccc(-n2c3ccccc3c3ccc(Oc4cc(C(C)(C)C)cc(-c5ccccc5O)n4)nc32)c1
InChIInChI=1S/C36H35N3O2/c1-35(2,3)23-12-11-13-25(20-23)39-30-16-9-7-14-26(30)27-18-19-32(38-34(27)39)41-33-22-24(36(4,5)6)21-29(37-33)28-15-8-10-17-31(28)40/h7-22,40H,1-6H3
InChIKeyMMUYSUKXGBOSOP-UHFFFAOYSA-N
XLogP9.33
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol with MolForge

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Related Compounds

4-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]-8-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-13-ol;platinum
CID 168720964
2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823529
2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
CID 140680894
4-tert-butyl-2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823470
9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile
CID 164823457
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(3-phenylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542382
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
9-(3-tert-butylphenyl)carbazole-2-carbonitrile
CID 164818616
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
1-[6-[9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]-3-(2,6-diphenylphenyl)-2-methanidyl-1,3,2-benzodiazaborole;platinum
CID 169078719

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol?
The IUPAC name of 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol (CID 164823591) is 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol is CC(C)(C)c1cccc(-n2c3ccccc3c3ccc(Oc4cc(C(C)(C)C)cc(-c5ccccc5O)n4)nc32)c1.
What is the InChIKey of 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol?
The InChIKey is MMUYSUKXGBOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O2/c1-35(2,3)23-12-11-13-25(20-23)39-30-16-9-7-14-26(30)27-18-19-32(38-34(27)39)41-33-22-24(36(4,5)6)21-29(37-33)28-15-8-10-17-31(28)40/h7-22,40H,1-6H3.
What are the key properties of 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol?
2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol has a molecular weight of 541.70 g/mol, XLogP of 9.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol is sourced from PubChem (CID 164823591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).