5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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

C54H32N4O — CID 59146928

IUPAC5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c5c(ccc43)[nH]c3ccc(-n4c6ccccc6c6ccccc64)cc35)cc12
InChIInChI=1S/C54H32N4O/c1-6-16-45-35(11-1)36-12-2-7-17-46(36)56(45)32-21-24-43-41(30-32)53-44(55-43)25-27-50-54(53)42-31-33(57-47-18-8-3-13-37(47)38-14-4-9-19-48(38)57)22-26-49(42)58(50)34-23-28-52-40(29-34)39-15-5-10-20-51(39)59-52/h1-31,55H
InChIKeyCKVMCGXOJAWTDU-UHFFFAOYSA-N
MW752.88 g/mol
LogP14.51
Rot. Bonds3

About 5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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-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 59146928) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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-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 CID59146928
Molecular FormulaC54H32N4O
Molecular Weight752.88 g/mol
Exact Mass752.26
IUPAC Name5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c5c(ccc43)[nH]c3ccc(-n4c6ccccc6c6ccccc64)cc35)cc12
InChIInChI=1S/C54H32N4O/c1-6-16-45-35(11-1)36-12-2-7-17-46(36)56(45)32-21-24-43-41(30-32)53-44(55-43)25-27-50-54(53)42-31-33(57-47-18-8-3-13-37(47)38-14-4-9-19-48(38)57)22-26-49(42)58(50)34-23-28-52-40(29-34)39-15-5-10-20-51(39)59-52/h1-31,55H
InChIKeyCKVMCGXOJAWTDU-UHFFFAOYSA-N
XLogP14.51
TPSA43.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 514.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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-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-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 59146928) is 5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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-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-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 c1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c5c(ccc43)[nH]c3ccc(-n4c6ccccc6c6ccccc64)cc35)cc12.
What is the InChIKey of 5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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 CKVMCGXOJAWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-6-16-45-35(11-1)36-12-2-7-17-46(36)56(45)32-21-24-43-41(30-32)53-44(55-43)25-27-50-54(53)42-31-33(57-47-18-8-3-13-37(47)38-14-4-9-19-48(38)57)22-26-49(42)58(50)34-23-28-52-40(29-34)39-15-5-10-20-51(39)59-52/h1-31,55H.
What are the key properties of 5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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-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 752.88 g/mol, XLogP of 14.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-di(carbazol-9-yl)-9-dibenzofuran-2-yl-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 59146928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).