5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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

C56H32N6 — CID 58038085

IUPAC5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)c7ccccc7n7c9ccccc9nc87)c6c54)cc3c3ccccc3n21
InChIInChI=1S/C56H32N6/c1-7-19-47-35(13-1)39-29-30-40-36-14-2-8-20-48(36)60(34-26-28-42-44(32-34)38-16-4-10-22-50(38)62-52-24-12-6-18-46(52)58-56(42)62)54(40)53(39)59(47)33-25-27-41-43(31-33)37-15-3-9-21-49(37)61-51-23-11-5-17-45(51)57-55(41)61/h1-32H
InChIKeyKQLZKBINCDIBNR-UHFFFAOYSA-N
MW788.91 g/mol
LogP14.10
Rot. Bonds2

About 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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-[12-(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)indolo[2,3-a]carbazol-11-yl]-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 58038085) has the molecular formula C56H32N6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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-[12-(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)indolo[2,3-a]carbazol-11-yl]-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 CID58038085
Molecular FormulaC56H32N6
Molecular Weight788.91 g/mol
Exact Mass788.27
IUPAC Name5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)c7ccccc7n7c9ccccc9nc87)c6c54)cc3c3ccccc3n21
InChIInChI=1S/C56H32N6/c1-7-19-47-35(13-1)39-29-30-40-36-14-2-8-20-48(36)60(34-26-28-42-44(32-34)38-16-4-10-22-50(38)62-52-24-12-6-18-46(52)58-56(42)62)54(40)53(39)59(47)33-25-27-41-43(31-33)37-15-3-9-21-49(37)61-51-23-11-5-17-45(51)57-55(41)61/h1-32H
InChIKeyKQLZKBINCDIBNR-UHFFFAOYSA-N
XLogP14.10
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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-[12-(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)indolo[2,3-a]carbazol-11-yl]-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-[12-(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)indolo[2,3-a]carbazol-11-yl]-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 58038085) is 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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-[12-(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)indolo[2,3-a]carbazol-11-yl]-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-[12-(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)indolo[2,3-a]carbazol-11-yl]-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(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)c7ccccc7n7c9ccccc9nc87)c6c54)cc3c3ccccc3n21.
What is the InChIKey of 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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 KQLZKBINCDIBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6/c1-7-19-47-35(13-1)39-29-30-40-36-14-2-8-20-48(36)60(34-26-28-42-44(32-34)38-16-4-10-22-50(38)62-52-24-12-6-18-46(52)58-56(42)62)54(40)53(39)59(47)33-25-27-41-43(31-33)37-15-3-9-21-49(37)61-51-23-11-5-17-45(51)57-55(41)61/h1-32H.
What are the key properties of 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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-[12-(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)indolo[2,3-a]carbazol-11-yl]-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 788.91 g/mol, XLogP of 14.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-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 58038085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).