2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C27H17N — CID 102532372

IUPAC2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3cccc4c3c2-c2ccccc2-4)cc1
InChIInChI=1S/C27H17N/c1-3-10-18(11-4-1)26-23-17-9-16-21-20-14-7-8-15-22(20)25(24(21)23)27(28-26)19-12-5-2-6-13-19/h1-17H
InChIKeyRDERMZIIIHMGEJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP7.22
Rot. Bonds2

About 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 102532372) has the molecular formula C27H17N and a molecular weight of 355.44 g/mol. Its IUPAC name is 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID102532372
Molecular FormulaC27H17N
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3cccc4c3c2-c2ccccc2-4)cc1
InChIInChI=1S/C27H17N/c1-3-10-18(11-4-1)26-23-17-9-16-21-20-14-7-8-15-22(20)25(24(21)23)27(28-26)19-12-5-2-6-13-19/h1-17H
InChIKeyRDERMZIIIHMGEJ-UHFFFAOYSA-N
XLogP7.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
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CID 167202663
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107
5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
CID 13077773
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 102532372) is 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-c2nc(-c3ccccc3)c3cccc4c3c2-c2ccccc2-4)cc1.
What is the InChIKey of 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is RDERMZIIIHMGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N/c1-3-10-18(11-4-1)26-23-17-9-16-21-20-14-7-8-15-22(20)25(24(21)23)27(28-26)19-12-5-2-6-13-19/h1-17H.
What are the key properties of 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 355.44 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 102532372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).