12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene

C29H17ClN2O — CID 170065691

IUPAC12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
SMILESClc1ccc(-c2nc3c(c4ccccc4n3-c3ccccc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C29H17ClN2O/c30-19-16-14-18(15-17-19)27-28-25(22-11-5-7-13-24(22)33-28)26-21-10-4-6-12-23(21)32(29(26)31-27)20-8-2-1-3-9-20/h1-17H
InChIKeyIHLBLYPPYDMCDX-UHFFFAOYSA-N
MW444.92 g/mol
LogP8.40
Rot. Bonds2

About 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene

12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene (PubChem CID 170065691) has the molecular formula C29H17ClN2O and a molecular weight of 444.92 g/mol. Its IUPAC name is 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene.

Molecular Properties

Compound Name12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
PubChem CID170065691
Molecular FormulaC29H17ClN2O
Molecular Weight444.92 g/mol
Exact Mass444.10
IUPAC Name12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
SMILESClc1ccc(-c2nc3c(c4ccccc4n3-c3ccccc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C29H17ClN2O/c30-19-16-14-18(15-17-19)27-28-25(22-11-5-7-13-24(22)33-28)26-21-10-4-6-12-23(21)32(29(26)31-27)20-8-2-1-3-9-20/h1-17H
InChIKeyIHLBLYPPYDMCDX-UHFFFAOYSA-N
XLogP8.40
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-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

12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 170063463
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
9-phenyl-21-[4-(4-phenylquinazolin-2-yl)phenyl]-18-oxa-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634640
18-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635347
9-[4-(4-dibenzofuran-2-ylphenyl)quinazolin-2-yl]-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634606
4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 159694372
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592787
18-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635349
18-phenyl-9-pyridin-4-yl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634621
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 162703315
11,14-bis(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513515

Frequently Asked Questions

What is the IUPAC name of 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
The IUPAC name of 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene (CID 170065691) is 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene.
What is the SMILES notation for 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
The canonical SMILES for 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene is Clc1ccc(-c2nc3c(c4ccccc4n3-c3ccccc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
The InChIKey is IHLBLYPPYDMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17ClN2O/c30-19-16-14-18(15-17-19)27-28-25(22-11-5-7-13-24(22)33-28)26-21-10-4-6-12-23(21)32(29(26)31-27)20-8-2-1-3-9-20/h1-17H.
What are the key properties of 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene has a molecular weight of 444.92 g/mol, XLogP of 8.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-chlorophenyl)-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene is sourced from PubChem (CID 170065691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).