5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C35H22N2 — CID 135345703

IUPAC5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cnc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2
InChIInChI=1S/C35H22N2/c1-2-12-24-23(11-1)25-13-3-5-15-27(25)31-21-35(36-22-32(31)28-16-6-4-14-26(24)28)37-33-19-9-7-17-29(33)30-18-8-10-20-34(30)37/h1-22H/b25-23-,26-24-,31-27-,32-28-
InChIKeyIMAGHVGZYQGIRI-WTCHOKRVSA-N
MW470.58 g/mol
LogP9.16
Rot. Bonds1

About 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 135345703) has the molecular formula C35H22N2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
PubChem CID135345703
Molecular FormulaC35H22N2
Molecular Weight470.58 g/mol
Exact Mass470.18
IUPAC Name5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cnc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2
InChIInChI=1S/C35H22N2/c1-2-12-24-23(11-1)25-13-3-5-15-27(25)31-21-35(36-22-32(31)28-16-6-4-14-26(24)28)37-33-19-9-7-17-29(33)30-18-8-10-20-34(30)37/h1-22H/b25-23-,26-24-,31-27-,32-28-
InChIKeyIMAGHVGZYQGIRI-WTCHOKRVSA-N
XLogP9.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 135345703) is 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is c1ccc2c(c1)-c1ccccc1-c1cnc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2.
What is the InChIKey of 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is IMAGHVGZYQGIRI-WTCHOKRVSA-N. The full InChI is InChI=1S/C35H22N2/c1-2-12-24-23(11-1)25-13-3-5-15-27(25)31-21-35(36-22-32(31)28-16-6-4-14-26(24)28)37-33-19-9-7-17-29(33)30-18-8-10-20-34(30)37/h1-22H/b25-23-,26-24-,31-27-,32-28-.
What are the key properties of 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 470.58 g/mol, XLogP of 9.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 135345703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).