7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C42H26N2S — CID 122599828

IUPAC7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4c5cccc(-c6ccc7sc8ccccc8c7c6)c5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C42H26N2S/c1-3-12-28(13-4-1)43-35-20-9-7-17-32(35)40-36(43)23-24-37-41(40)33-19-11-18-30(42(33)44(37)29-14-5-2-6-15-29)27-22-25-39-34(26-27)31-16-8-10-21-38(31)45-39/h1-26H
InChIKeyGFJZCIUUXVDFGJ-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

About 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 122599828) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID122599828
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4c5cccc(-c6ccc7sc8ccccc8c7c6)c5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C42H26N2S/c1-3-12-28(13-4-1)43-35-20-9-7-17-32(35)40-36(43)23-24-37-41(40)33-19-11-18-30(42(33)44(37)29-14-5-2-6-15-29)27-22-25-39-34(26-27)31-16-8-10-21-38(31)45-39/h1-26H
InChIKeyGFJZCIUUXVDFGJ-UHFFFAOYSA-N
XLogP11.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
7-(6,7-dihydrodibenzothiophen-2-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163755377
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole
CID 139496588
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-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;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-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 160639812
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
CID 118041194
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 122599828) is 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-n2c3ccccc3c3c4c5cccc(-c6ccc7sc8ccccc8c7c6)c5n(-c5ccccc5)c4ccc32)cc1.
What is the InChIKey of 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is GFJZCIUUXVDFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-3-12-28(13-4-1)43-35-20-9-7-17-32(35)40-36(43)23-24-37-41(40)33-19-11-18-30(42(33)44(37)29-14-5-2-6-15-29)27-22-25-39-34(26-27)31-16-8-10-21-38(31)45-39/h1-26H.
What are the key properties of 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 590.75 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 122599828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).