2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole

C39H26N4O3 — CID 155650282

IUPAC2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
SMILESCN1C=CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c3oc4ccc5c6ccccc6oc5c4c3c2)C1
InChIInChI=1S/C39H26N4O3/c1-41-18-19-42(23-41)24-20-30-37-34(16-15-29-28-9-3-5-11-33(28)45-39(29)37)46-38(30)35(21-24)44-25-13-14-27-26-8-2-4-10-31(26)43(32(27)22-25)36-12-6-7-17-40-36/h2-22H,23H2,1H3
InChIKeyADSDGZUMOIFCAK-UHFFFAOYSA-N
MW598.66 g/mol
LogP9.95
Rot. Bonds4

About 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole

2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole (PubChem CID 155650282) has the molecular formula C39H26N4O3 and a molecular weight of 598.66 g/mol. Its IUPAC name is 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
PubChem CID155650282
Molecular FormulaC39H26N4O3
Molecular Weight598.66 g/mol
Exact Mass598.20
IUPAC Name2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
SMILESCN1C=CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c3oc4ccc5c6ccccc6oc5c4c3c2)C1
InChIInChI=1S/C39H26N4O3/c1-41-18-19-42(23-41)24-20-30-37-34(16-15-29-28-9-3-5-11-33(28)45-39(29)37)46-38(30)35(21-24)44-25-13-14-27-26-8-2-4-10-31(26)43(32(27)22-25)36-12-6-7-17-40-36/h2-22H,23H2,1H3
InChIKeyADSDGZUMOIFCAK-UHFFFAOYSA-N
XLogP9.95
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole with MolForge

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Related Compounds

3-[[6-(3-methyl-2H-imidazol-1-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]oxy]-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 155650303
2,7-bis[[9-methyl-2-(3-methyl-2H-imidazol-1-yl)carbazol-4-yl]oxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592363
3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole
CID 140943650
7-[9-methyl-2-(3-methyl-2H-imidazol-1-yl)carbazol-4-yl]oxy-2-[5-methyl-8-(3-methyl-2H-imidazol-1-yl)pyrido[1,2-b]indazol-6-ium-10-yl]oxy-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 170672568
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
CID 158770762
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
CID 153432020
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950
2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole (CID 155650282) is 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole is CN1C=CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c3oc4ccc5c6ccccc6oc5c4c3c2)C1.
What is the InChIKey of 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole?
The InChIKey is ADSDGZUMOIFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O3/c1-41-18-19-42(23-41)24-20-30-37-34(16-15-29-28-9-3-5-11-33(28)45-39(29)37)46-38(30)35(21-24)44-25-13-14-27-26-8-2-4-10-31(26)43(32(27)22-25)36-12-6-7-17-40-36/h2-22H,23H2,1H3.
What are the key properties of 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole?
2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 598.66 g/mol, XLogP of 9.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155650282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).