5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene

C60H36N4O — CID 59147220

IUPAC5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccc6oc7ccccc7c6c5)c4ccc32)cc1
InChIInChI=1S/C60H36N4O/c1-2-14-37(15-3-1)61-53-29-26-38(62-49-21-9-4-16-41(49)42-17-5-10-22-50(42)62)35-47(53)59-55(61)31-32-56-60(59)48-36-39(63-51-23-11-6-18-43(51)44-19-7-12-24-52(44)63)27-30-54(48)64(56)40-28-33-58-46(34-40)45-20-8-13-25-57(45)65-58/h1-36H
InChIKeyIBLJWWLSKDSHPZ-UHFFFAOYSA-N
MW828.98 g/mol
LogP15.97
Rot. Bonds4

About 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene

5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene (PubChem CID 59147220) has the molecular formula C60H36N4O and a molecular weight of 828.98 g/mol. Its IUPAC name is 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene.

Molecular Properties

Compound Name5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene
PubChem CID59147220
Molecular FormulaC60H36N4O
Molecular Weight828.98 g/mol
Exact Mass828.29
IUPAC Name5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccc6oc7ccccc7c6c5)c4ccc32)cc1
InChIInChI=1S/C60H36N4O/c1-2-14-37(15-3-1)61-53-29-26-38(62-49-21-9-4-16-41(49)42-17-5-10-22-50(42)62)35-47(53)59-55(61)31-32-56-60(59)48-36-39(63-51-23-11-6-18-43(51)44-19-7-12-24-52(44)63)27-30-54(48)64(56)40-28-33-58-46(34-40)45-20-8-13-25-57(45)65-58/h1-36H
InChIKeyIBLJWWLSKDSHPZ-UHFFFAOYSA-N
XLogP15.97
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.98
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene?
The IUPAC name of 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene (CID 59147220) is 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene.
What is the SMILES notation for 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene?
The canonical SMILES for 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene is c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccc6oc7ccccc7c6c5)c4ccc32)cc1.
What is the InChIKey of 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene?
The InChIKey is IBLJWWLSKDSHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4O/c1-2-14-37(15-3-1)61-53-29-26-38(62-49-21-9-4-16-41(49)42-17-5-10-22-50(42)62)35-47(53)59-55(61)31-32-56-60(59)48-36-39(63-51-23-11-6-18-43(51)44-19-7-12-24-52(44)63)27-30-54(48)64(56)40-28-33-58-46(34-40)45-20-8-13-25-57(45)65-58/h1-36H.
What are the key properties of 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene?
5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene has a molecular weight of 828.98 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-di(carbazol-9-yl)-9-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(20),16,18-nonaene is sourced from PubChem (CID 59147220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).