5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene

C43H27N3 — CID 155005571

IUPAC5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene
SMILESc1ccc2c(c1)Cn1c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)cc-2c31
InChIInChI=1S/C43H27N3/c1-2-12-30-27(11-1)26-44-38-22-21-28(45-39-17-7-3-13-31(39)32-14-4-8-18-40(32)45)23-35(38)37-25-29(24-36(30)43(37)44)46-41-19-9-5-15-33(41)34-16-6-10-20-42(34)46/h1-25H,26H2
InChIKeyQPTKCJJFXHYGIA-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.02
Rot. Bonds2

About 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene

5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene (PubChem CID 155005571) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene.

Molecular Properties

Compound Name5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene
PubChem CID155005571
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene
SMILESc1ccc2c(c1)Cn1c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)cc-2c31
InChIInChI=1S/C43H27N3/c1-2-12-30-27(11-1)26-44-38-22-21-28(45-39-17-7-3-13-31(39)32-14-4-8-18-40(32)45)23-35(38)37-25-29(24-36(30)43(37)44)46-41-19-9-5-15-33(41)34-16-6-10-20-42(34)46/h1-25H,26H2
InChIKeyQPTKCJJFXHYGIA-UHFFFAOYSA-N
XLogP11.02
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene?
The IUPAC name of 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene (CID 155005571) is 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene.
What is the SMILES notation for 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene?
The canonical SMILES for 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene is c1ccc2c(c1)Cn1c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)cc-2c31.
What is the InChIKey of 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene?
The InChIKey is QPTKCJJFXHYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-12-30-27(11-1)26-44-38-22-21-28(45-39-17-7-3-13-31(39)32-14-4-8-18-40(32)45)23-35(38)37-25-29(24-36(30)43(37)44)46-41-19-9-5-15-33(41)34-16-6-10-20-42(34)46/h1-25H,26H2.
What are the key properties of 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene?
5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene has a molecular weight of 585.71 g/mol, XLogP of 11.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene is sourced from PubChem (CID 155005571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).