9-(6-dibenzofuran-1-yldibenzothiophen-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

C48H28N2OS — CID 146532916

IUPAC9-(6-dibenzofuran-1-yldibenzothiophen-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
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6sc7c(-c8cccc9oc%10ccccc%10c89)cccc7c6c5)c4ccc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-38-20-7-4-14-34(38)46-40(49)25-26-41-47(46)35-15-5-8-21-39(35)50(41)30-24-27-44-37(28-30)33-19-10-18-32(48(33)52-44)31-17-11-23-43-45(31)36-16-6-9-22-42(36)51-43/h1-28H
InChIKeyJBUZFILKKNBOIO-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 9-(6-dibenzofuran-1-yldibenzothiophen-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-(6-dibenzofuran-1-yldibenzothiophen-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 (PubChem CID 146532916) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 9-(6-dibenzofuran-1-yldibenzothiophen-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.

Molecular Properties

Compound Name9-(6-dibenzofuran-1-yldibenzothiophen-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
PubChem CID146532916
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name9-(6-dibenzofuran-1-yldibenzothiophen-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
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6sc7c(-c8cccc9oc%10ccccc%10c89)cccc7c6c5)c4ccc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-38-20-7-4-14-34(38)46-40(49)25-26-41-47(46)35-15-5-8-21-39(35)50(41)30-24-27-44-37(28-30)33-19-10-18-32(48(33)52-44)31-17-11-23-43-45(31)36-16-6-9-22-42(36)51-43/h1-28H
InChIKeyJBUZFILKKNBOIO-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(6-dibenzofuran-1-yldibenzothiophen-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 with MolForge

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Related Compounds

3-carbazol-9-yl-9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 146533063
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146532915
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146533082
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]carbazole
CID 169011495
6-dibenzothiophen-2-yl-11-phenyl-21-oxa-6,11-diazahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1,3,5(20),7(19),8,10(18),12(17),13,15-nonaene
CID 135130545
12-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-9-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 146533258
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-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 134515861
3-dibenzofuran-2-yl-9-[1-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-yl]carbazole
CID 163711686
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-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 126580043
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062

Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzofuran-1-yldibenzothiophen-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?
The IUPAC name of 9-(6-dibenzofuran-1-yldibenzothiophen-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 146532916) is 9-(6-dibenzofuran-1-yldibenzothiophen-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.
What is the SMILES notation for 9-(6-dibenzofuran-1-yldibenzothiophen-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?
The canonical SMILES for 9-(6-dibenzofuran-1-yldibenzothiophen-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 is c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6sc7c(-c8cccc9oc%10ccccc%10c89)cccc7c6c5)c4ccc32)cc1.
What is the InChIKey of 9-(6-dibenzofuran-1-yldibenzothiophen-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?
The InChIKey is JBUZFILKKNBOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-38-20-7-4-14-34(38)46-40(49)25-26-41-47(46)35-15-5-8-21-39(35)50(41)30-24-27-44-37(28-30)33-19-10-18-32(48(33)52-44)31-17-11-23-43-45(31)36-16-6-9-22-42(36)51-43/h1-28H.
What are the key properties of 9-(6-dibenzofuran-1-yldibenzothiophen-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-(6-dibenzofuran-1-yldibenzothiophen-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 has a molecular weight of 680.83 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-dibenzofuran-1-yldibenzothiophen-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 is sourced from PubChem (CID 146532916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).