5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

C56H33N5 — CID 58037588

IUPAC5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESc1ccc2c(c1)nc1c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n5c7ccccc7nc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3ccccc3n21
InChIInChI=1S/C56H33N5/c1-7-19-49-39(13-1)40-14-2-8-20-50(40)59(49)38-30-36(34-25-27-43-45(32-34)41-15-3-9-21-51(41)60-53-23-11-5-17-47(53)57-55(43)60)29-37(31-38)35-26-28-44-46(33-35)42-16-4-10-22-52(42)61-54-24-12-6-18-48(54)58-56(44)61/h1-33H
InChIKeyMNFBKGAVXUUYCT-UHFFFAOYSA-N
MW775.92 g/mol
LogP14.33
Rot. Bonds3

About 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (PubChem CID 58037588) has the molecular formula C56H33N5 and a molecular weight of 775.92 g/mol. Its IUPAC name is 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
PubChem CID58037588
Molecular FormulaC56H33N5
Molecular Weight775.92 g/mol
Exact Mass775.27
IUPAC Name5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESc1ccc2c(c1)nc1c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n5c7ccccc7nc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3ccccc3n21
InChIInChI=1S/C56H33N5/c1-7-19-49-39(13-1)40-14-2-8-20-50(40)59(49)38-30-36(34-25-27-43-45(32-34)41-15-3-9-21-51(41)60-53-23-11-5-17-47(53)57-55(43)60)29-37(31-38)35-26-28-44-46(33-35)42-16-4-10-22-52(42)61-54-24-12-6-18-48(54)58-56(44)61/h1-33H
InChIKeyMNFBKGAVXUUYCT-UHFFFAOYSA-N
XLogP14.33
TPSA39.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.92
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The IUPAC name of 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (CID 58037588) is 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.
What is the SMILES notation for 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The canonical SMILES for 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is c1ccc2c(c1)nc1c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n5c7ccccc7nc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3ccccc3n21.
What is the InChIKey of 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The InChIKey is MNFBKGAVXUUYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5/c1-7-19-49-39(13-1)40-14-2-8-20-50(40)59(49)38-30-36(34-25-27-43-45(32-34)41-15-3-9-21-51(41)60-53-23-11-5-17-47(53)57-55(43)60)29-37(31-38)35-26-28-44-46(33-35)42-16-4-10-22-52(42)61-54-24-12-6-18-48(54)58-56(44)61/h1-33H.
What are the key properties of 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene has a molecular weight of 775.92 g/mol, XLogP of 14.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is sourced from PubChem (CID 58037588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).