14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C42H23NOS2 — CID 170688519

IUPAC14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)ccc34)cc12
InChIInChI=1S/C42H23NOS2/c1-4-10-33-30(8-1)41-34(18-20-40-42(41)31-9-3-6-12-38(31)46-40)43(33)26-15-17-28-27-16-13-25(22-35(27)44-36(28)23-26)24-14-19-39-32(21-24)29-7-2-5-11-37(29)45-39/h1-23H
InChIKeyQJJZANVVANSANG-UHFFFAOYSA-N
MW621.79 g/mol
LogP13.09
Rot. Bonds2

About 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 170688519) has the molecular formula C42H23NOS2 and a molecular weight of 621.79 g/mol. Its IUPAC name is 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID170688519
Molecular FormulaC42H23NOS2
Molecular Weight621.79 g/mol
Exact Mass621.12
IUPAC Name14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)ccc34)cc12
InChIInChI=1S/C42H23NOS2/c1-4-10-33-30(8-1)41-34(18-20-40-42(41)31-9-3-6-12-38(31)46-40)43(33)26-15-17-28-27-16-13-25(22-35(27)44-36(28)23-26)24-14-19-39-32(21-24)29-7-2-5-11-37(29)45-39/h1-23H
InChIKeyQJJZANVVANSANG-UHFFFAOYSA-N
XLogP13.09
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.79
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-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

14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 154624660
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
3-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124
14-[4-[4-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193395
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285118
5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170286844
9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011595
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582
14-phenyl-18-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593675

Frequently Asked Questions

What is the IUPAC name of 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 170688519) is 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2c(c1)sc1ccc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)ccc34)cc12.
What is the InChIKey of 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is QJJZANVVANSANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NOS2/c1-4-10-33-30(8-1)41-34(18-20-40-42(41)31-9-3-6-12-38(31)46-40)43(33)26-15-17-28-27-16-13-25(22-35(27)44-36(28)23-26)24-14-19-39-32(21-24)29-7-2-5-11-37(29)45-39/h1-23H.
What are the key properties of 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 621.79 g/mol, XLogP of 13.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 170688519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).