2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C42H44N4O — CID 155651692

IUPAC2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cccc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C=C2C(C)(C)C)c1C
InChIInChI=1S/C42H44N4O/c1-28-13-11-18-36(29(28)2)45-27-44(26-39(45)42(6,7)8)31-14-12-15-32(24-31)47-33-19-20-35-34-16-9-10-17-37(34)46(38(35)25-33)40-23-30(21-22-43-40)41(3,4)5/h9-26H,27H2,1-8H3
InChIKeyWJOMBVCRLAUTTB-UHFFFAOYSA-N
MW620.84 g/mol
LogP11.06
Rot. Bonds5

About 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651692) has the molecular formula C42H44N4O and a molecular weight of 620.84 g/mol. Its IUPAC name is 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID155651692
Molecular FormulaC42H44N4O
Molecular Weight620.84 g/mol
Exact Mass620.35
IUPAC Name2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cccc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C=C2C(C)(C)C)c1C
InChIInChI=1S/C42H44N4O/c1-28-13-11-18-36(29(28)2)45-27-44(26-39(45)42(6,7)8)31-14-12-15-32(24-31)47-33-19-20-35-34-16-9-10-17-37(34)46(38(35)25-33)40-23-30(21-22-43-40)41(3,4)5/h9-26H,27H2,1-8H3
InChIKeyWJOMBVCRLAUTTB-UHFFFAOYSA-N
XLogP11.06
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651962
2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159266601
2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158807825
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161248197
2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651874
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651487
2-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652395
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162061748
2-[3-[3-[2-(4-tert-butylphenyl)-3-methylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651137
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651692) is 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is Cc1cccc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C=C2C(C)(C)C)c1C.
What is the InChIKey of 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is WJOMBVCRLAUTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N4O/c1-28-13-11-18-36(29(28)2)45-27-44(26-39(45)42(6,7)8)31-14-12-15-32(24-31)47-33-19-20-35-34-16-9-10-17-37(34)46(38(35)25-33)40-23-30(21-22-43-40)41(3,4)5/h9-26H,27H2,1-8H3.
What are the key properties of 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 620.84 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).