17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene

C36H22N4 — CID 139407329

IUPAC17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4n4c5ccccc5cc34)cc1-c1ccccc1-c1ncncc1-2
InChIInChI=1S/C36H22N4/c1-6-14-32-23(9-1)19-35-39(33-15-7-8-16-34(33)40(32)35)24-17-18-28-25-10-2-3-11-26(25)31-21-37-22-38-36(31)29-13-5-4-12-27(29)30(28)20-24/h1-22H/b28-25-,30-27-,31-26-,36-29+
InChIKeyAETXNAIBNOQEBN-OTKKSDNUSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds1

About 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene

17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene (PubChem CID 139407329) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
PubChem CID139407329
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4n4c5ccccc5cc34)cc1-c1ccccc1-c1ncncc1-2
InChIInChI=1S/C36H22N4/c1-6-14-32-23(9-1)19-35-39(33-15-7-8-16-34(33)40(32)35)24-17-18-28-25-10-2-3-11-26(25)31-21-37-22-38-36(31)29-13-5-4-12-27(29)30(28)20-24/h1-22H/b28-25-,30-27-,31-26-,36-29+
InChIKeyAETXNAIBNOQEBN-OTKKSDNUSA-N
XLogP8.81
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene with MolForge

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Related Compounds

17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
CID 138571403
10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole
CID 139407345
4-(pyrimidin-4-ylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 158873227
10-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 134428704
10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
CID 139407585
10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-a]benzimidazole
CID 139407350
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole
CID 139407431
11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
CID 140920345
17-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1]benzoxepin-1-yl]-16-(1-deuteriocyclopentyl)-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 140937410
6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 137364519
17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 140937620
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852

Frequently Asked Questions

What is the IUPAC name of 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
The IUPAC name of 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene (CID 139407329) is 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
The canonical SMILES for 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene is c1ccc2c(c1)-c1ccc(-n3c4ccccc4n4c5ccccc5cc34)cc1-c1ccccc1-c1ncncc1-2.
What is the InChIKey of 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
The InChIKey is AETXNAIBNOQEBN-OTKKSDNUSA-N. The full InChI is InChI=1S/C36H22N4/c1-6-14-32-23(9-1)19-35-39(33-15-7-8-16-34(33)40(32)35)24-17-18-28-25-10-2-3-11-26(25)31-21-37-22-38-36(31)29-13-5-4-12-27(29)30(28)20-24/h1-22H/b28-25-,30-27-,31-26-,36-29+.
What are the key properties of 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene has a molecular weight of 510.60 g/mol, XLogP of 8.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-indolo[1,2-a]benzimidazol-10-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 139407329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).