7-dibenzofuran-2-yl-14-phenyl-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

C36H22N2O — CID 178110524

IUPAC7-dibenzofuran-2-yl-14-phenyl-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(-n2c3ccccc3c3c4c(ccc32)[nH]c2c(-c3ccc5oc6ccccc6c5c3)cccc24)cc1
InChIInChI=1S/C36H22N2O/c1-2-9-23(10-3-1)38-30-15-6-4-12-26(30)35-31(38)19-18-29-34(35)27-14-8-13-24(36(27)37-29)22-17-20-33-28(21-22)25-11-5-7-16-32(25)39-33/h1-21,37H
InChIKeyJBJWPGSDAADOBU-UHFFFAOYSA-N
MW498.59 g/mol
LogP9.98
Rot. Bonds2

About 7-dibenzofuran-2-yl-14-phenyl-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-dibenzofuran-2-yl-14-phenyl-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 178110524) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 7-dibenzofuran-2-yl-14-phenyl-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-dibenzofuran-2-yl-14-phenyl-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 CID178110524
Molecular FormulaC36H22N2O
Molecular Weight498.59 g/mol
Exact Mass498.17
IUPAC Name7-dibenzofuran-2-yl-14-phenyl-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(-n2c3ccccc3c3c4c(ccc32)[nH]c2c(-c3ccc5oc6ccccc6c5c3)cccc24)cc1
InChIInChI=1S/C36H22N2O/c1-2-9-23(10-3-1)38-30-15-6-4-12-26(30)35-31(38)19-18-29-34(35)27-14-8-13-24(36(27)37-29)22-17-20-33-28(21-22)25-11-5-7-16-32(25)39-33/h1-21,37H
InChIKeyJBJWPGSDAADOBU-UHFFFAOYSA-N
XLogP9.98
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 59.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-dibenzofuran-2-yl-14-phenyl-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-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]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 178110246
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
4-dibenzofuran-3-yl-9,14-diphenyl-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 122599853
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
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)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 166961355
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163951698
2-(6-dibenzofuran-2-yl-9-phenylcarbazol-4-yl)benzonitrile
CID 148667920
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-2-yl-14-phenyl-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-dibenzofuran-2-yl-14-phenyl-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 178110524) is 7-dibenzofuran-2-yl-14-phenyl-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-dibenzofuran-2-yl-14-phenyl-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-dibenzofuran-2-yl-14-phenyl-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(-n2c3ccccc3c3c4c(ccc32)[nH]c2c(-c3ccc5oc6ccccc6c5c3)cccc24)cc1.
What is the InChIKey of 7-dibenzofuran-2-yl-14-phenyl-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 JBJWPGSDAADOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c1-2-9-23(10-3-1)38-30-15-6-4-12-26(30)35-31(38)19-18-29-34(35)27-14-8-13-24(36(27)37-29)22-17-20-33-28(21-22)25-11-5-7-16-32(25)39-33/h1-21,37H.
What are the key properties of 7-dibenzofuran-2-yl-14-phenyl-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-dibenzofuran-2-yl-14-phenyl-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 498.59 g/mol, XLogP of 9.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-2-yl-14-phenyl-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 178110524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).