4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene

C17H11N — CID 57063750

IUPAC4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene
SMILESc1ccc(C23Nc4c2c3cc2ccccc42)cc1
InChIInChI=1S/C17H11N/c1-2-7-12(8-3-1)17-14-10-11-6-4-5-9-13(11)16(18-17)15(14)17/h1-10,18H
InChIKeyGCMWWZJHRINGJU-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.87
Rot. Bonds1

About 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene

4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene (PubChem CID 57063750) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene.

Molecular Properties

Compound Name4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene
PubChem CID57063750
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Name4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene
SMILESc1ccc(C23Nc4c2c3cc2ccccc42)cc1
InChIInChI=1S/C17H11N/c1-2-7-12(8-3-1)17-14-10-11-6-4-5-9-13(11)16(18-17)15(14)17/h1-10,18H
InChIKeyGCMWWZJHRINGJU-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene with MolForge

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Related Compounds

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CID 140684072
6,13-difluoropentacene;6,6,13,13-tetrafluoropentacene
CID 158708056
3-(naphthalen-1-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
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2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine
CID 141492916
(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid
CID 175571239
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CID 18400436
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CID 6432395
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CID 171482584
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CID 167036333
1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 105485387
1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene
CID 170522173

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene?
The IUPAC name of 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene (CID 57063750) is 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene.
What is the SMILES notation for 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene?
The canonical SMILES for 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene is c1ccc(C23Nc4c2c3cc2ccccc42)cc1.
What is the InChIKey of 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene?
The InChIKey is GCMWWZJHRINGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-7-12(8-3-1)17-14-10-11-6-4-5-9-13(11)16(18-17)15(14)17/h1-10,18H.
What are the key properties of 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene?
4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene has a molecular weight of 229.28 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-azatetracyclo[6.4.0.02,5.04,6]dodeca-1(12),2(5),6,8,10-pentaene is sourced from PubChem (CID 57063750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).