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

C57H46N11O2+ — CID 170672568

IUPAC7-[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
SMILESCN1C=CN(c2cc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cc(N7C=CN(C)C7)c[n+]7c6c6ccccc6n7C)cc5n(-c5ccccn5)c43)c3c4ccccc4n(C)c3c2)C1
InChIInChI=1S/C57H46N11O2/c1-60-25-27-64(35-60)37-29-49-54(41-13-5-7-15-45(41)62(49)3)50(30-37)69-39-19-21-43-47(32-39)67(52-17-9-11-23-58-52)57-44-22-20-40(33-48(44)68(56(43)57)53-18-10-12-24-59-53)70-51-31-38(65-28-26-61(2)36-65)34-66-55(51)42-14-6-8-16-46(42)63(66)4/h5-34H,35-36H2,1-4H3/q+1
InChIKeyHSPWHVBTMQDGIK-UHFFFAOYSA-N
MW917.07 g/mol
LogP11.34
Rot. Bonds8

About 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

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 (PubChem CID 170672568) has the molecular formula C57H46N11O2+ and a molecular weight of 917.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID170672568
Molecular FormulaC57H46N11O2+
Molecular Weight917.07 g/mol
Exact Mass916.38
IUPAC Name7-[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
SMILESCN1C=CN(c2cc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cc(N7C=CN(C)C7)c[n+]7c6c6ccccc6n7C)cc5n(-c5ccccn5)c43)c3c4ccccc4n(C)c3c2)C1
InChIInChI=1S/C57H46N11O2/c1-60-25-27-64(35-60)37-29-49-54(41-13-5-7-15-45(41)62(49)3)50(30-37)69-39-19-21-43-47(32-39)67(52-17-9-11-23-58-52)57-44-22-20-40(33-48(44)68(56(43)57)53-18-10-12-24-59-53)70-51-31-38(65-28-26-61(2)36-65)34-66-55(51)42-14-6-8-16-46(42)63(66)4/h5-34H,35-36H2,1-4H3/q+1
InChIKeyHSPWHVBTMQDGIK-UHFFFAOYSA-N
XLogP11.34
TPSA81.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.07
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
CID 169031337
3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole
CID 140943650
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
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-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
CID 154592375
18-methyl-6-[3-(3-methyl-2H-benzimidazol-1-ium-2-id-1-yl)phenoxy]-27-phenyl-9-pyridin-2-yl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 176844864
9,21-dimethyl-15-[3-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)phenoxy]-18-pyridin-2-yl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 176844761
2,7-bis[3-tert-butyl-5-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 170672566

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C=CN(c2cc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cc(N7C=CN(C)C7)c[n+]7c6c6ccccc6n7C)cc5n(-c5ccccn5)c43)c3c4ccccc4n(C)c3c2)C1.
What is the InChIKey of 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?
The InChIKey is HSPWHVBTMQDGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N11O2/c1-60-25-27-64(35-60)37-29-49-54(41-13-5-7-15-45(41)62(49)3)50(30-37)69-39-19-21-43-47(32-39)67(52-17-9-11-23-58-52)57-44-22-20-40(33-48(44)68(56(43)57)53-18-10-12-24-59-53)70-51-31-38(65-28-26-61(2)36-65)34-66-55(51)42-14-6-8-16-46(42)63(66)4/h5-34H,35-36H2,1-4H3/q+1.
What are the key properties of 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?
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 has a molecular weight of 917.07 g/mol, XLogP of 11.34, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170672568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).