11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline

C155H101N13S — CID 159819483

IUPAC11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2cc3cc4ccccc4cn3n2)c1.c1cc(-c2cc3cc4ccccc4cn3n2)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.c1cc(-c2ccc(-c3cc4cc5ccccc5cn4n3)cc2)cc(-c2cc3cc4ccccc4cn3n2)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3cc4cc5ccccc5cn4n3)c2)cc1
InChIInChI=1S/C48H31N3.C38H27N3.C35H21N3S.C34H22N4/c1-3-17-35(18-4-1)48(36-19-5-2-6-20-36)43-24-11-9-22-39(43)41-30-47-42(29-44(41)48)40-23-10-12-25-46(40)51(47)37-21-13-16-33(27-37)45-28-38-26-32-14-7-8-15-34(32)31-50(38)49-45;1-38(2)33-16-7-5-14-29(33)31-22-37-32(21-34(31)38)30-15-6-8-17-36(30)41(37)27-13-9-12-25(19-27)35-20-28-18-24-10-3-4-11-26(24)23-40(28)39-35;1-2-9-24-21-37-26(16-22(24)8-1)18-31(36-37)23-10-7-11-25(17-23)38-32-14-5-3-12-27(32)29-20-35-30(19-33(29)38)28-13-4-6-15-34(28)39-35;1-3-8-29-21-37-31(17-26(29)6-1)19-33(35-37)24-14-12-23(13-15-24)25-10-5-11-28(16-25)34-20-32-18-27-7-2-4-9-30(27)22-38(32)36-34/h1-31H;3-23H,1-2H3;1-21H;1-22H
InChIKeyNMAVUBANIMSPAF-UHFFFAOYSA-N
MW2177.67 g/mol
LogP39.08
Rot. Bonds11

About 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline

11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline (PubChem CID 159819483) has the molecular formula C155H101N13S and a molecular weight of 2177.67 g/mol. Its IUPAC name is 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline.

Molecular Properties

Compound Name11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline
PubChem CID159819483
Molecular FormulaC155H101N13S
Molecular Weight2177.67 g/mol
Exact Mass2175.80
IUPAC Name11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2cc3cc4ccccc4cn3n2)c1.c1cc(-c2cc3cc4ccccc4cn3n2)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.c1cc(-c2ccc(-c3cc4cc5ccccc5cn4n3)cc2)cc(-c2cc3cc4ccccc4cn3n2)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3cc4cc5ccccc5cn4n3)c2)cc1
InChIInChI=1S/C48H31N3.C38H27N3.C35H21N3S.C34H22N4/c1-3-17-35(18-4-1)48(36-19-5-2-6-20-36)43-24-11-9-22-39(43)41-30-47-42(29-44(41)48)40-23-10-12-25-46(40)51(47)37-21-13-16-33(27-37)45-28-38-26-32-14-7-8-15-34(32)31-50(38)49-45;1-38(2)33-16-7-5-14-29(33)31-22-37-32(21-34(31)38)30-15-6-8-17-36(30)41(37)27-13-9-12-25(19-27)35-20-28-18-24-10-3-4-11-26(24)23-40(28)39-35;1-2-9-24-21-37-26(16-22(24)8-1)18-31(36-37)23-10-7-11-25(17-23)38-32-14-5-3-12-27(32)29-20-35-30(19-33(29)38)28-13-4-6-15-34(28)39-35;1-3-8-29-21-37-31(17-26(29)6-1)19-33(35-37)24-14-12-23(13-15-24)25-10-5-11-28(16-25)34-20-32-18-27-7-2-4-9-30(27)22-38(32)36-34/h1-31H;3-23H,1-2H3;1-21H;1-22H
InChIKeyNMAVUBANIMSPAF-UHFFFAOYSA-N
XLogP39.08
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002177.67
LogP ≤ 539.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline?
The IUPAC name of 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline (CID 159819483) is 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline.
What is the SMILES notation for 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline?
The canonical SMILES for 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2cc3cc4ccccc4cn3n2)c1.c1cc(-c2cc3cc4ccccc4cn3n2)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.c1cc(-c2ccc(-c3cc4cc5ccccc5cn4n3)cc2)cc(-c2cc3cc4ccccc4cn3n2)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3cc4cc5ccccc5cn4n3)c2)cc1.
What is the InChIKey of 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline?
The InChIKey is NMAVUBANIMSPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C38H27N3.C35H21N3S.C34H22N4/c1-3-17-35(18-4-1)48(36-19-5-2-6-20-36)43-24-11-9-22-39(43)41-30-47-42(29-44(41)48)40-23-10-12-25-46(40)51(47)37-21-13-16-33(27-37)45-28-38-26-32-14-7-8-15-34(32)31-50(38)49-45;1-38(2)33-16-7-5-14-29(33)31-22-37-32(21-34(31)38)30-15-6-8-17-36(30)41(37)27-13-9-12-25(19-27)35-20-28-18-24-10-3-4-11-26(24)23-40(28)39-35;1-2-9-24-21-37-26(16-22(24)8-1)18-31(36-37)23-10-7-11-25(17-23)38-32-14-5-3-12-27(32)29-20-35-30(19-33(29)38)28-13-4-6-15-34(28)39-35;1-3-8-29-21-37-31(17-26(29)6-1)19-33(35-37)24-14-12-23(13-15-24)25-10-5-11-28(16-25)34-20-32-18-27-7-2-4-9-30(27)22-38(32)36-34/h1-31H;3-23H,1-2H3;1-21H;1-22H.
What are the key properties of 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline?
11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline has a molecular weight of 2177.67 g/mol, XLogP of 39.08, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline is sourced from PubChem (CID 159819483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).