5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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

C60H35N3O2 — CID 59147051

IUPAC5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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(-c2ccc3c(c2)c2c4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccc6oc7ccccc7c6c5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H35N3O2/c1-2-12-36(13-3-1)37-22-26-51-47(32-37)59-53(62(51)39-24-30-57-45(33-39)43-16-6-10-20-55(43)64-57)28-29-54-60(59)48-35-38(61-49-18-8-4-14-41(49)42-15-5-9-19-50(42)61)23-27-52(48)63(54)40-25-31-58-46(34-40)44-17-7-11-21-56(44)65-58/h1-35H
InChIKeyCKZKCPZHZIQGSZ-UHFFFAOYSA-N
MW829.96 g/mol
LogP16.44
Rot. Bonds4

About 5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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 59147051) has the molecular formula C60H35N3O2 and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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 CID59147051
Molecular FormulaC60H35N3O2
Molecular Weight829.96 g/mol
Exact Mass829.27
IUPAC Name5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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(-c2ccc3c(c2)c2c4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccc6oc7ccccc7c6c5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H35N3O2/c1-2-12-36(13-3-1)37-22-26-51-47(32-37)59-53(62(51)39-24-30-57-45(33-39)43-16-6-10-20-55(43)64-57)28-29-54-60(59)48-35-38(61-49-18-8-4-14-41(49)42-15-5-9-19-50(42)61)23-27-52(48)63(54)40-25-31-58-46(34-40)44-17-7-11-21-56(44)65-58/h1-35H
InChIKeyCKZKCPZHZIQGSZ-UHFFFAOYSA-N
XLogP16.44
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.96
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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 59147051) is 5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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(-c2ccc3c(c2)c2c4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccc6oc7ccccc7c6c5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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 CKZKCPZHZIQGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O2/c1-2-12-36(13-3-1)37-22-26-51-47(32-37)59-53(62(51)39-24-30-57-45(33-39)43-16-6-10-20-55(43)64-57)28-29-54-60(59)48-35-38(61-49-18-8-4-14-41(49)42-15-5-9-19-50(42)61)23-27-52(48)63(54)40-25-31-58-46(34-40)44-17-7-11-21-56(44)65-58/h1-35H.
What are the key properties of 5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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 829.96 g/mol, XLogP of 16.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-9,14-di(dibenzofuran-2-yl)-18-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 59147051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).