11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene

C43H25N3O — CID 134169373

IUPAC11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
SMILESc1cc(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)cc(-n2c3ccc4ccccc4c3n3c4ccccc4nc23)c1
InChIInChI=1S/C43H25N3O/c1-4-15-31-26(10-1)21-23-38-39(31)40-32-16-5-3-12-29(32)25-34(42(40)47-38)28-13-9-14-30(24-28)45-37-22-20-27-11-2-6-17-33(27)41(37)46-36-19-8-7-18-35(36)44-43(45)46/h1-25H
InChIKeyCIEVPLZFJXJDDA-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.46
Rot. Bonds2

About 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene

11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene (PubChem CID 134169373) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
PubChem CID134169373
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
SMILESc1cc(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)cc(-n2c3ccc4ccccc4c3n3c4ccccc4nc23)c1
InChIInChI=1S/C43H25N3O/c1-4-15-31-26(10-1)21-23-38-39(31)40-32-16-5-3-12-29(32)25-34(42(40)47-38)28-13-9-14-30(24-28)45-37-22-20-27-11-2-6-17-33(27)41(37)46-36-19-8-7-18-35(36)44-43(45)46/h1-25H
InChIKeyCIEVPLZFJXJDDA-UHFFFAOYSA-N
XLogP11.46
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene 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-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332304
12-[3-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149698
11-(3-triphenylen-2-ylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 154646751
10-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188801
4-[3,5-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]quinoline
CID 126550908
11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
CID 134169344
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420268
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420272
12-[3-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915694
2-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-4,6-diphenylpyrimidine
CID 126764196
10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59136719
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172

Frequently Asked Questions

What is the IUPAC name of 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
The IUPAC name of 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene (CID 134169373) is 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene.
What is the SMILES notation for 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
The canonical SMILES for 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene is c1cc(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)cc(-n2c3ccc4ccccc4c3n3c4ccccc4nc23)c1.
What is the InChIKey of 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
The InChIKey is CIEVPLZFJXJDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-4-15-31-26(10-1)21-23-38-39(31)40-32-16-5-3-12-29(32)25-34(42(40)47-38)28-13-9-14-30(24-28)45-37-22-20-27-11-2-6-17-33(27)41(37)46-36-19-8-7-18-35(36)44-43(45)46/h1-25H.
What are the key properties of 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene has a molecular weight of 599.69 g/mol, XLogP of 11.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene is sourced from PubChem (CID 134169373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).