22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

C34H21N5 — CID 135212469

IUPAC22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
SMILESc1ccc(-n2c(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3ccccc32)cc1
InChIInChI=1S/C34H21N5/c1-2-12-22(13-3-1)37-30-21-11-8-18-27(30)35-34(37)39-29-20-10-7-17-26(29)31-33(39)36-32-25-16-5-4-14-23(25)24-15-6-9-19-28(24)38(31)32/h1-21H
InChIKeyWJQIBQQNYLXQMV-UHFFFAOYSA-N
MW499.58 g/mol
LogP8.08
Rot. Bonds2

About 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene (PubChem CID 135212469) has the molecular formula C34H21N5 and a molecular weight of 499.58 g/mol. Its IUPAC name is 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
PubChem CID135212469
Molecular FormulaC34H21N5
Molecular Weight499.58 g/mol
Exact Mass499.18
IUPAC Name22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
SMILESc1ccc(-n2c(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3ccccc32)cc1
InChIInChI=1S/C34H21N5/c1-2-12-22(13-3-1)37-30-21-11-8-18-27(30)35-34(37)39-29-20-10-7-17-26(29)31-33(39)36-32-25-16-5-4-14-23(25)24-15-6-9-19-28(24)38(31)32/h1-21H
InChIKeyWJQIBQQNYLXQMV-UHFFFAOYSA-N
XLogP8.08
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-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

22-[3,5-di(carbazol-9-yl)phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 159421788
22-(9-phenylcarbazol-4-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212584
22-(3-phenylphenyl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212575
22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212459
12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
CID 118501967
22-(4-naphthalen-2-ylquinazolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212372
22-phenyl-19-(9-phenylcarbazol-4-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
CID 142398601
22-phenyl-18-[9-(3-phenylphenyl)carbazol-3-yl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
CID 135212582
7,17-diphenyl-7,17,22,29-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30,32,34-hexadecaene
CID 140956548
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
22-fluoranthen-3-yl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212714
22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)quinazolin-4-yl]naphthalen-2-yl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene
CID 135212377

Frequently Asked Questions

What is the IUPAC name of 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
The IUPAC name of 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene (CID 135212469) is 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene.
What is the SMILES notation for 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
The canonical SMILES for 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene is c1ccc(-n2c(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3ccccc32)cc1.
What is the InChIKey of 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
The InChIKey is WJQIBQQNYLXQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5/c1-2-12-22(13-3-1)37-30-21-11-8-18-27(30)35-34(37)39-29-20-10-7-17-26(29)31-33(39)36-32-25-16-5-4-14-23(25)24-15-6-9-19-28(24)38(31)32/h1-21H.
What are the key properties of 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene has a molecular weight of 499.58 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(1-phenylbenzimidazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene is sourced from PubChem (CID 135212469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).