5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C77H44ClN9O2 — CID 162030600

IUPAC5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESClc1nnc(-c2ccc3c(c2)oc2ccccc23)c2nccnc12.c1ccc2cc3c(cc2c1)Cc1cc2ccccc2cc1-3.c1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n3-c1nnc(-c2ccc3c(c2)oc2ccccc23)c2nccnc12
InChIInChI=1S/C38H21N5O.C21H14.C18H9ClN4O/c1-3-9-24-19-31-29(17-22(24)7-1)30-18-23-8-2-4-10-25(23)20-32(30)43(31)38-37-36(39-15-16-40-37)35(41-42-38)26-13-14-28-27-11-5-6-12-33(27)44-34(28)21-26;1-3-7-16-12-20-18(9-14(16)5-1)11-19-10-15-6-2-4-8-17(15)13-21(19)20;19-18-17-16(20-7-8-21-17)15(22-23-18)10-5-6-12-11-3-1-2-4-13(11)24-14(12)9-10/h1-21H;1-10,12-13H,11H2;1-9H
InChIKeyYVYWSPQVGNGVGL-UHFFFAOYSA-N
MW1162.71 g/mol
LogP19.59
Rot. Bonds3

About 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 162030600) has the molecular formula C77H44ClN9O2 and a molecular weight of 1162.71 g/mol. Its IUPAC name is 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID162030600
Molecular FormulaC77H44ClN9O2
Molecular Weight1162.71 g/mol
Exact Mass1161.33
IUPAC Name5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESClc1nnc(-c2ccc3c(c2)oc2ccccc23)c2nccnc12.c1ccc2cc3c(cc2c1)Cc1cc2ccccc2cc1-3.c1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n3-c1nnc(-c2ccc3c(c2)oc2ccccc23)c2nccnc12
InChIInChI=1S/C38H21N5O.C21H14.C18H9ClN4O/c1-3-9-24-19-31-29(17-22(24)7-1)30-18-23-8-2-4-10-25(23)20-32(30)43(31)38-37-36(39-15-16-40-37)35(41-42-38)26-13-14-28-27-11-5-6-12-33(27)44-34(28)21-26;1-3-7-16-12-20-18(9-14(16)5-1)11-19-10-15-6-2-4-8-17(15)13-21(19)20;19-18-17-16(20-7-8-21-17)15(22-23-18)10-5-6-12-11-3-1-2-4-13(11)24-14(12)9-10/h1-21H;1-10,12-13H,11H2;1-9H
InChIKeyYVYWSPQVGNGVGL-UHFFFAOYSA-N
XLogP19.59
TPSA134.33 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.71
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene 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-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707
12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375678
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155449985
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 160676870
5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole
CID 155450030
6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole
CID 163955120
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067
12-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155450612
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916089
5-(4-triphenylen-2-ylphthalazin-1-yl)benzo[b]carbazole
CID 139362303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 162030600) is 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is Clc1nnc(-c2ccc3c(c2)oc2ccccc23)c2nccnc12.c1ccc2cc3c(cc2c1)Cc1cc2ccccc2cc1-3.c1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n3-c1nnc(-c2ccc3c(c2)oc2ccccc23)c2nccnc12.
What is the InChIKey of 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is YVYWSPQVGNGVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N5O.C21H14.C18H9ClN4O/c1-3-9-24-19-31-29(17-22(24)7-1)30-18-23-8-2-4-10-25(23)20-32(30)43(31)38-37-36(39-15-16-40-37)35(41-42-38)26-13-14-28-27-11-5-6-12-33(27)44-34(28)21-26;1-3-7-16-12-20-18(9-14(16)5-1)11-19-10-15-6-2-4-8-17(15)13-21(19)20;19-18-17-16(20-7-8-21-17)15(22-23-18)10-5-6-12-11-3-1-2-4-13(11)24-14(12)9-10/h1-21H;1-10,12-13H,11H2;1-9H.
What are the key properties of 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 1162.71 g/mol, XLogP of 19.59, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazine;12-(8-dibenzofuran-3-ylpyrazino[2,3-d]pyridazin-5-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 162030600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).