2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole

C37H38N6O — CID 168848602

IUPAC2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole
SMILESCN1CN(c2ccnc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4n3)c2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C37H38N6O/c1-36(2,3)24-12-14-30-31(20-24)42(23-41(30)7)26-17-19-39-34(22-26)44-33-15-13-28-27-10-8-9-11-29(27)43(35(28)40-33)32-21-25(16-18-38-32)37(4,5)6/h8-22H,23H2,1-7H3
InChIKeyFVRFDFRPBGEHBN-UHFFFAOYSA-N
MW582.75 g/mol
LogP8.90
Rot. Bonds4

About 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole

2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole (PubChem CID 168848602) has the molecular formula C37H38N6O and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole
PubChem CID168848602
Molecular FormulaC37H38N6O
Molecular Weight582.75 g/mol
Exact Mass582.31
IUPAC Name2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole
SMILESCN1CN(c2ccnc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4n3)c2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C37H38N6O/c1-36(2,3)24-12-14-30-31(20-24)42(23-41(30)7)26-17-19-39-34(22-26)44-33-15-13-28-27-10-8-9-11-29(27)43(35(28)40-33)32-21-25(16-18-38-32)37(4,5)6/h8-22H,23H2,1-7H3
InChIKeyFVRFDFRPBGEHBN-UHFFFAOYSA-N
XLogP8.90
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-6-phenyl-2-pyridinyl]oxy]carbazole
CID 168848689
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
9-(4-tert-butyl-2-pyridinyl)-2-[[4-[3-(2,6-dimethylphenyl)-2H-benzimidazol-1-yl]-2-pyridinyl]oxy]carbazole
CID 168848644
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155650892
2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606505
9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 162263550
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine
CID 168848640

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole?
The IUPAC name of 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole (CID 168848602) is 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole.
What is the SMILES notation for 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole?
The canonical SMILES for 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole is CN1CN(c2ccnc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4n3)c2)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole?
The InChIKey is FVRFDFRPBGEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N6O/c1-36(2,3)24-12-14-30-31(20-24)42(23-41(30)7)26-17-19-39-34(22-26)44-33-15-13-28-27-10-8-9-11-29(27)43(35(28)40-33)32-21-25(16-18-38-32)37(4,5)6/h8-22H,23H2,1-7H3.
What are the key properties of 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole?
2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole has a molecular weight of 582.75 g/mol, XLogP of 8.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole is sourced from PubChem (CID 168848602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).