5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene

C130H78N16S — CID 158218688

IUPAC5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene
SMILESc1cc(-c2cn3c4ccccc4nc3c3ccccc23)cc(-c2cn3c4ccccc4nc3c3ccccc23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3c4cnccc4c4ccccc4n3c2c1.c1ccc2c(c1)nc1c3ccccc3c(-c3ccc(-c4cn5c6ccccc6nc5c5ccccc45)s3)cn21.c1ccc2c(c1)nc1c3ccccc3c(-c3cn4c5ccccc5nc4c4ccccc34)cn21
InChIInChI=1S/C36H22N4.C34H20N4S.2C30H18N4/c1-3-14-27-25(12-1)29(21-39-33-18-7-5-16-31(33)37-35(27)39)23-10-9-11-24(20-23)30-22-40-34-19-8-6-17-32(34)38-36(40)28-15-4-2-13-26(28)30;1-3-11-23-21(9-1)25(19-37-29-15-7-5-13-27(29)35-33(23)37)31-17-18-32(39-31)26-20-38-30-16-8-6-14-28(30)36-34(38)24-12-4-2-10-22(24)26;1-6-12-28-21(7-1)20-15-16-31-18-24(20)30-32-25-14-13-19(17-29(25)34(28)30)33-26-10-4-2-8-22(26)23-9-3-5-11-27(23)33;1-3-11-21-19(9-1)23(17-33-27-15-7-5-13-25(27)31-29(21)33)24-18-34-28-16-8-6-14-26(28)32-30(34)22-12-4-2-10-20(22)24/h1-22H;1-20H;2*1-18H
InChIKeyGCZALLNUIVKHBD-UHFFFAOYSA-N
MW1896.23 g/mol
LogP32.47
Rot. Bonds6

About 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene

5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene (PubChem CID 158218688) has the molecular formula C130H78N16S and a molecular weight of 1896.23 g/mol. Its IUPAC name is 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene
PubChem CID158218688
Molecular FormulaC130H78N16S
Molecular Weight1896.23 g/mol
Exact Mass1894.63
IUPAC Name5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene
SMILESc1cc(-c2cn3c4ccccc4nc3c3ccccc23)cc(-c2cn3c4ccccc4nc3c3ccccc23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3c4cnccc4c4ccccc4n3c2c1.c1ccc2c(c1)nc1c3ccccc3c(-c3ccc(-c4cn5c6ccccc6nc5c5ccccc45)s3)cn21.c1ccc2c(c1)nc1c3ccccc3c(-c3cn4c5ccccc5nc4c4ccccc34)cn21
InChIInChI=1S/C36H22N4.C34H20N4S.2C30H18N4/c1-3-14-27-25(12-1)29(21-39-33-18-7-5-16-31(33)37-35(27)39)23-10-9-11-24(20-23)30-22-40-34-19-8-6-17-32(34)38-36(40)28-15-4-2-13-26(28)30;1-3-11-23-21(9-1)25(19-37-29-15-7-5-13-27(29)35-33(23)37)31-17-18-32(39-31)26-20-38-30-16-8-6-14-28(30)36-34(38)24-12-4-2-10-22(24)26;1-6-12-28-21(7-1)20-15-16-31-18-24(20)30-32-25-14-13-19(17-29(25)34(28)30)33-26-10-4-2-8-22(26)23-9-3-5-11-27(23)33;1-3-11-21-19(9-1)23(17-33-27-15-7-5-13-25(27)31-29(21)33)24-18-34-28-16-8-6-14-26(28)32-30(34)22-12-4-2-10-20(22)24/h1-22H;1-20H;2*1-18H
InChIKeyGCZALLNUIVKHBD-UHFFFAOYSA-N
XLogP32.47
TPSA138.92 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.23
LogP ≤ 532.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

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CID 163695553
5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 142519126
17-(4,6-diphenylpyrimidin-2-yl)-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 71108800
26-phenyl-2,9,14,26-tetrazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24,27-tridecaene
CID 163472926
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256
13,17-diphenyl-13,17,24,27,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
CID 161441197
20-(3-pyridin-2-ylphenyl)-2,9,20-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432578
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
CID 59413694
20-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,20-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432551
25-(3-pyridin-4-ylphenyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432572
5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
CID 129087599

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene?
The IUPAC name of 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene (CID 158218688) is 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene is c1cc(-c2cn3c4ccccc4nc3c3ccccc23)cc(-c2cn3c4ccccc4nc3c3ccccc23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3c4cnccc4c4ccccc4n3c2c1.c1ccc2c(c1)nc1c3ccccc3c(-c3ccc(-c4cn5c6ccccc6nc5c5ccccc45)s3)cn21.c1ccc2c(c1)nc1c3ccccc3c(-c3cn4c5ccccc5nc4c4ccccc34)cn21.
What is the InChIKey of 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene?
The InChIKey is GCZALLNUIVKHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4.C34H20N4S.2C30H18N4/c1-3-14-27-25(12-1)29(21-39-33-18-7-5-16-31(33)37-35(27)39)23-10-9-11-24(20-23)30-22-40-34-19-8-6-17-32(34)38-36(40)28-15-4-2-13-26(28)30;1-3-11-23-21(9-1)25(19-37-29-15-7-5-13-27(29)35-33(23)37)31-17-18-32(39-31)26-20-38-30-16-8-6-14-28(30)36-34(38)24-12-4-2-10-22(24)26;1-6-12-28-21(7-1)20-15-16-31-18-24(20)30-32-25-14-13-19(17-29(25)34(28)30)33-26-10-4-2-8-22(26)23-9-3-5-11-27(23)33;1-3-11-21-19(9-1)23(17-33-27-15-7-5-13-25(27)31-29(21)33)24-18-34-28-16-8-6-14-26(28)32-30(34)22-12-4-2-10-20(22)24/h1-22H;1-20H;2*1-18H.
What are the key properties of 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene?
5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene has a molecular weight of 1896.23 g/mol, XLogP of 32.47, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 158218688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).