9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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

C47H29N3O — CID 121385469

IUPAC9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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(-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5ccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-30(15-4-1)37-28-32(29-38(48-37)31-16-5-2-6-17-31)49-39-22-10-7-19-35(39)45-41(49)26-27-42-46(45)36-20-8-11-23-40(36)50(42)43-24-13-21-34-33-18-9-12-25-44(33)51-47(34)43/h1-29H
InChIKeyMZABGXMLJKXCIA-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.51
Rot. Bonds4

About 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 121385469) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 CID121385469
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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(-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5ccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-30(15-4-1)37-28-32(29-38(48-37)31-16-5-2-6-17-31)49-39-22-10-7-19-35(39)45-41(49)26-27-42-46(45)36-20-8-11-23-40(36)50(42)43-24-13-21-34-33-18-9-12-25-44(33)51-47(34)43/h1-29H
InChIKeyMZABGXMLJKXCIA-UHFFFAOYSA-N
XLogP12.51
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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-(2,6-diphenyl-4-pyridinyl)-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-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 161408244
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110
9-dibenzofuran-4-yl-14-(4-methylphenyl)-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 126501186
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
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
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-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 138568922
5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118153947
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole
CID 90348778
12-dibenzofuran-4-yl-11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,3-a]carbazole
CID 121385253

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 121385469) is 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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(-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5ccc43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 MZABGXMLJKXCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-14-30(15-4-1)37-28-32(29-38(48-37)31-16-5-2-6-17-31)49-39-22-10-7-19-35(39)45-41(49)26-27-42-46(45)36-20-8-11-23-40(36)50(42)43-24-13-21-34-33-18-9-12-25-44(33)51-47(34)43/h1-29H.
What are the key properties of 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 651.77 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 121385469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).