9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole

C48H51N5O — CID 176783417

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
SMILESCC(C)c1cc(C(C)C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c(C(C)C)c1
InChIInChI=1S/C48H51N5O/c1-30(2)33-24-40(31(3)4)46(41(25-33)32(5)6)52-29-51(47-43(52)18-13-22-50-47)35-14-12-15-36(27-35)54-37-19-20-39-38-16-10-11-17-42(38)53(44(39)28-37)45-26-34(21-23-49-45)48(7,8)9/h10-28,30-32H,29H2,1-9H3
InChIKeyVDRLQBVDEUVNDA-UHFFFAOYSA-N
MW713.97 g/mol
LogP13.28
Rot. Bonds8

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole (PubChem CID 176783417) has the molecular formula C48H51N5O and a molecular weight of 713.97 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
PubChem CID176783417
Molecular FormulaC48H51N5O
Molecular Weight713.97 g/mol
Exact Mass713.41
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
SMILESCC(C)c1cc(C(C)C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c(C(C)C)c1
InChIInChI=1S/C48H51N5O/c1-30(2)33-24-40(31(3)4)46(41(25-33)32(5)6)52-29-51(47-43(52)18-13-22-50-47)35-14-12-15-36(27-35)54-37-19-20-39-38-16-10-11-17-42(38)53(44(39)28-37)45-26-34(21-23-49-45)48(7,8)9/h10-28,30-32H,29H2,1-9H3
InChIKeyVDRLQBVDEUVNDA-UHFFFAOYSA-N
XLogP13.28
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.97
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole with MolForge

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Related Compounds

2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782206
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,6-dimethyl-4-phenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783142
2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783069
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155651105
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155650741
2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782601
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-[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-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole (CID 176783417) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole is CC(C)c1cc(C(C)C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c(C(C)C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The InChIKey is VDRLQBVDEUVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51N5O/c1-30(2)33-24-40(31(3)4)46(41(25-33)32(5)6)52-29-51(47-43(52)18-13-22-50-47)35-14-12-15-36(27-35)54-37-19-20-39-38-16-10-11-17-42(38)53(44(39)28-37)45-26-34(21-23-49-45)48(7,8)9/h10-28,30-32H,29H2,1-9H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole has a molecular weight of 713.97 g/mol, XLogP of 13.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole is sourced from PubChem (CID 176783417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).