9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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

C46H28N2O — CID 167029624

IUPAC9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8oc9ccccc9c78)c6ccc54)cc3)cccc2c1
InChIInChI=1S/C46H28N2O/c1-2-13-32-29(11-1)12-9-17-33(32)30-23-25-31(26-24-30)47-37-18-6-3-14-34(37)45-40(47)27-28-41-46(45)35-15-4-7-19-38(35)48(41)39-20-10-22-43-44(39)36-16-5-8-21-42(36)49-43/h1-28H
InChIKeySNCYJOUTUHVIOX-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

About 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 167029624) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 CID167029624
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8oc9ccccc9c78)c6ccc54)cc3)cccc2c1
InChIInChI=1S/C46H28N2O/c1-2-13-32-29(11-1)12-9-17-33(32)30-23-25-31(26-24-30)47-37-18-6-3-14-34(37)45-40(47)27-28-41-46(45)35-15-4-7-19-38(35)48(41)39-20-10-22-43-44(39)36-16-5-8-21-42(36)49-43/h1-28H
InChIKeySNCYJOUTUHVIOX-UHFFFAOYSA-N
XLogP12.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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

9-dibenzofuran-4-yl-14-(4-naphthalen-1-ylphenyl)-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 167029631
4,9-di(dibenzofuran-1-yl)-14-(4-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-nonaene
CID 178110232
15-dibenzofuran-1-yl-10,20-diphenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 174349977
12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole
CID 167030154
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
14-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-oxa-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 90191516
5-dibenzofuran-4-yl-7-(4-naphthalen-1-ylphenyl)indolo[2,3-b]carbazole
CID 167029628
9-dibenzofuran-1-yl-14-(3,5-diphenylphenyl)-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 171414752
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
9-(4-naphthalen-1-ylphenyl)-5-phenyl-14-(4-phenylphenyl)-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 139312614
4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200557

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 167029624) is 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 c1ccc2c(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8oc9ccccc9c78)c6ccc54)cc3)cccc2c1.
What is the InChIKey of 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 SNCYJOUTUHVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-13-32-29(11-1)12-9-17-33(32)30-23-25-31(26-24-30)47-37-18-6-3-14-34(37)45-40(47)27-28-41-46(45)35-15-4-7-19-38(35)48(41)39-20-10-22-43-44(39)36-16-5-8-21-42(36)49-43/h1-28H.
What are the key properties of 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 624.74 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 167029624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).