9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole

C38H31N5O — CID 140958316

IUPAC9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
SMILESCc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)c3ncccc32)c(C)c1
InChIInChI=1S/C38H31N5O/c1-25-20-26(2)37(27(3)21-25)42-24-41(38-34(42)14-9-19-40-38)28-10-8-11-29(22-28)44-30-16-17-32-31-12-4-5-13-33(31)43(35(32)23-30)36-15-6-7-18-39-36/h4-23H,24H2,1-3H3
InChIKeyYCHWTWWYVJJCIO-UHFFFAOYSA-N
MW573.70 g/mol
LogP9.54
Rot. Bonds5

About 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole

9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole (PubChem CID 140958316) has the molecular formula C38H31N5O and a molecular weight of 573.70 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
PubChem CID140958316
Molecular FormulaC38H31N5O
Molecular Weight573.70 g/mol
Exact Mass573.25
IUPAC Name9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
SMILESCc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)c3ncccc32)c(C)c1
InChIInChI=1S/C38H31N5O/c1-25-20-26(2)37(27(3)21-25)42-24-41(38-34(42)14-9-19-40-38)28-10-8-11-29(22-28)44-30-16-17-32-31-12-4-5-13-33(31)43(35(32)23-30)36-15-6-7-18-39-36/h4-23H,24H2,1-3H3
InChIKeyYCHWTWWYVJJCIO-UHFFFAOYSA-N
XLogP9.54
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
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-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783417
[5-methyl-1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
CID 176871172
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602
9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
CID 176783710
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The IUPAC name of 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole (CID 140958316) is 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole.
What is the SMILES notation for 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The canonical SMILES for 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole is Cc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)c3ncccc32)c(C)c1.
What is the InChIKey of 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
The InChIKey is YCHWTWWYVJJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N5O/c1-25-20-26(2)37(27(3)21-25)42-24-41(38-34(42)14-9-19-40-38)28-10-8-11-29(22-28)44-30-16-17-32-31-12-4-5-13-33(31)43(35(32)23-30)36-15-6-7-18-39-36/h4-23H,24H2,1-3H3.
What are the key properties of 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole?
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole has a molecular weight of 573.70 g/mol, XLogP of 9.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole is sourced from PubChem (CID 140958316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).