N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine

C20H14N4 — CID 10086717

IUPACN-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine
SMILESc1ccc(Nc2nc3ccccc3c3nc4ccccn4c23)cc1
InChIInChI=1S/C20H14N4/c1-2-8-14(9-3-1)21-20-19-18(15-10-4-5-11-16(15)22-20)23-17-12-6-7-13-24(17)19/h1-13H,(H,21,22)
InChIKeyRZXCZAXMSGPNPW-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.78
Rot. Bonds2

About N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine

N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine (PubChem CID 10086717) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine.

Molecular Properties

Compound NameN-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine
PubChem CID10086717
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC NameN-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine
SMILESc1ccc(Nc2nc3ccccc3c3nc4ccccn4c23)cc1
InChIInChI=1S/C20H14N4/c1-2-8-14(9-3-1)21-20-19-18(15-10-4-5-11-16(15)22-20)23-17-12-6-7-13-24(17)19/h1-13H,(H,21,22)
InChIKeyRZXCZAXMSGPNPW-UHFFFAOYSA-N
XLogP4.78
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine with MolForge

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Related Compounds

9-(4-phenanthren-9-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392950
(4-bromophenyl)-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)methanone
CID 132501026
9-(4-nitrophenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 101436702
9-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393720
9-[3-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393635
9-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392828
9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393323
2-methyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 134106073
9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393056
9-[3-[4,6-diphenyl-2-(4-phenylphenyl)pyrimidin-5-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393315
9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393650
9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393566

Frequently Asked Questions

What is the IUPAC name of N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine?
The IUPAC name of N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine (CID 10086717) is N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine.
What is the SMILES notation for N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine?
The canonical SMILES for N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine is c1ccc(Nc2nc3ccccc3c3nc4ccccn4c23)cc1.
What is the InChIKey of N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine?
The InChIKey is RZXCZAXMSGPNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-2-8-14(9-3-1)21-20-19-18(15-10-4-5-11-16(15)22-20)23-17-12-6-7-13-24(17)19/h1-13H,(H,21,22).
What are the key properties of N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine?
N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine has a molecular weight of 310.36 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine is sourced from PubChem (CID 10086717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).