9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

C36H24N4 — CID 122465314

IUPAC9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
SMILESCn1cnc2cccc(-n3c4ccccc4c4c3ccc3c5cc6ccccc6cc5n(-c5ccccc5)c34)c21
InChIInChI=1S/C36H24N4/c1-38-22-37-29-15-9-17-32(36(29)38)40-30-16-8-7-14-27(30)34-31(40)19-18-26-28-20-23-10-5-6-11-24(23)21-33(28)39(35(26)34)25-12-3-2-4-13-25/h2-22H,1H3
InChIKeyPDGWEORVVHZZQX-UHFFFAOYSA-N
MW512.62 g/mol
LogP8.92
Rot. Bonds2

About 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (PubChem CID 122465314) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
PubChem CID122465314
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
SMILESCn1cnc2cccc(-n3c4ccccc4c4c3ccc3c5cc6ccccc6cc5n(-c5ccccc5)c34)c21
InChIInChI=1S/C36H24N4/c1-38-22-37-29-15-9-17-32(36(29)38)40-30-16-8-7-14-27(30)34-31(40)19-18-26-28-20-23-10-5-6-11-24(23)21-33(28)39(35(26)34)25-12-3-2-4-13-25/h2-22H,1H3
InChIKeyPDGWEORVVHZZQX-UHFFFAOYSA-N
XLogP8.92
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-dibenzofuran-1-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 122465457
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
5-(9-naphthalen-2-ylcarbazol-4-yl)-12-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 165021173
14-phenyl-3-pyridin-3-yl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122465006
3,14-bis(4-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 146253456
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
CID 118501967
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
The IUPAC name of 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (CID 122465314) is 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.
What is the SMILES notation for 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
The canonical SMILES for 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is Cn1cnc2cccc(-n3c4ccccc4c4c3ccc3c5cc6ccccc6cc5n(-c5ccccc5)c34)c21.
What is the InChIKey of 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
The InChIKey is PDGWEORVVHZZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c1-38-22-37-29-15-9-17-32(36(29)38)40-30-16-8-7-14-27(30)34-31(40)19-18-26-28-20-23-10-5-6-11-24(23)21-33(28)39(35(26)34)25-12-3-2-4-13-25/h2-22H,1H3.
What are the key properties of 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene has a molecular weight of 512.62 g/mol, XLogP of 8.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 122465314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).