2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C37H37N5O — CID 176783389

IUPAC2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)(C)C)c6ccncc65)c4)cc32)c1
InChIInChI=1S/C37H37N5O/c1-36(2,3)25-16-19-39-35(20-25)42-31-13-8-7-12-29(31)30-15-14-28(22-33(30)42)43-27-11-9-10-26(21-27)40-24-41(37(4,5)6)32-17-18-38-23-34(32)40/h7-23H,24H2,1-6H3
InChIKeyAFNOBNRAHWSDEC-UHFFFAOYSA-N
MW567.74 g/mol
LogP9.38
Rot. Bonds4

About 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176783389) has the molecular formula C37H37N5O and a molecular weight of 567.74 g/mol. Its IUPAC name is 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID176783389
Molecular FormulaC37H37N5O
Molecular Weight567.74 g/mol
Exact Mass567.30
IUPAC Name2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)(C)C)c6ccncc65)c4)cc32)c1
InChIInChI=1S/C37H37N5O/c1-36(2,3)25-16-19-39-35(20-25)42-31-13-8-7-12-29(31)30-15-14-28(22-33(30)42)43-27-11-9-10-26(21-27)40-24-41(37(4,5)6)32-17-18-38-23-34(32)40/h7-23H,24H2,1-6H3
InChIKeyAFNOBNRAHWSDEC-UHFFFAOYSA-N
XLogP9.38
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782231
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782820
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole
CID 176783228
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
2-[3-[1-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782165
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzothiophen-4-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782306
5-tert-butyl-2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155623052
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzothiophen-1-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782056
2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782099
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176783389) is 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)(C)C)c6ccncc65)c4)cc32)c1.
What is the InChIKey of 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is AFNOBNRAHWSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O/c1-36(2,3)25-16-19-39-35(20-25)42-31-13-8-7-12-29(31)30-15-14-28(22-33(30)42)43-27-11-9-10-26(21-27)40-24-41(37(4,5)6)32-17-18-38-23-34(32)40/h7-23H,24H2,1-6H3.
What are the key properties of 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 567.74 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176783389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).