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

C42H40N6O — CID 176782573

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c1
InChIInChI=1S/C42H40N6O/c1-41(2,3)28-18-21-43-38(23-28)47-27-46(40-36(47)15-10-20-45-40)30-11-9-12-31(25-30)49-32-16-17-34-33-13-7-8-14-35(33)48(37(34)26-32)39-24-29(19-22-44-39)42(4,5)6/h7-26H,27H2,1-6H3
InChIKeyQUGYUEXALLSDMN-UHFFFAOYSA-N
MW644.82 g/mol
LogP10.60
Rot. Bonds5

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole (PubChem CID 176782573) has the molecular formula C42H40N6O and a molecular weight of 644.82 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
PubChem CID176782573
Molecular FormulaC42H40N6O
Molecular Weight644.82 g/mol
Exact Mass644.33
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c1
InChIInChI=1S/C42H40N6O/c1-41(2,3)28-18-21-43-38(23-28)47-27-46(40-36(47)15-10-20-45-40)30-11-9-12-31(25-30)49-32-16-17-34-33-13-7-8-14-35(33)48(37(34)26-32)39-24-29(19-22-44-39)42(4,5)6/h7-26H,27H2,1-6H3
InChIKeyQUGYUEXALLSDMN-UHFFFAOYSA-N
XLogP10.60
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
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-[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
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-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176781807
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-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
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-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The IUPAC name of 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) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-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-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The InChIKey is QUGYUEXALLSDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N6O/c1-41(2,3)28-18-21-43-38(23-28)47-27-46(40-36(47)15-10-20-45-40)30-11-9-12-31(25-30)49-32-16-17-34-33-13-7-8-14-35(33)48(37(34)26-32)39-24-29(19-22-44-39)42(4,5)6/h7-26H,27H2,1-6H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole has a molecular weight of 644.82 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole is sourced from PubChem (CID 176782573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).