6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene

C28H17N — CID 146321374

IUPAC6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene
SMILESc1ccc(-c2ccc3[nH]c4ccc5cccc6c5c4c3c2-c2ccccc2-6)cc1
InChIInChI=1S/C28H17N/c1-2-7-17(8-3-1)19-14-16-24-28-26(19)22-11-5-4-10-20(22)21-12-6-9-18-13-15-23(29-24)27(28)25(18)21/h1-16,29H
InChIKeyGPFPCVRUKQDAOB-UHFFFAOYSA-N
MW367.45 g/mol
LogP7.79
Rot. Bonds1

About 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene

6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene (PubChem CID 146321374) has the molecular formula C28H17N and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene.

Molecular Properties

Compound Name6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene
PubChem CID146321374
Molecular FormulaC28H17N
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Name6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene
SMILESc1ccc(-c2ccc3[nH]c4ccc5cccc6c5c4c3c2-c2ccccc2-6)cc1
InChIInChI=1S/C28H17N/c1-2-7-17(8-3-1)19-14-16-24-28-26(19)22-11-5-4-10-20(22)21-12-6-9-18-13-15-23(29-24)27(28)25(18)21/h1-16,29H
InChIKeyGPFPCVRUKQDAOB-UHFFFAOYSA-N
XLogP7.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene with MolForge

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Related Compounds

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CID 173150668
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N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene?
The IUPAC name of 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene (CID 146321374) is 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene.
What is the SMILES notation for 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene?
The canonical SMILES for 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene is c1ccc(-c2ccc3[nH]c4ccc5cccc6c5c4c3c2-c2ccccc2-6)cc1.
What is the InChIKey of 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene?
The InChIKey is GPFPCVRUKQDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N/c1-2-7-17(8-3-1)19-14-16-24-28-26(19)22-11-5-4-10-20(22)21-12-6-9-18-13-15-23(29-24)27(28)25(18)21/h1-16,29H.
What are the key properties of 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene?
6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene has a molecular weight of 367.45 g/mol, XLogP of 7.79, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene is sourced from PubChem (CID 146321374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).