7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene

C27H24ClN — CID 163569616

IUPAC7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene
SMILESClc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C1CC2CC(CC3C2)C1
InChIInChI=1S/C27H24ClN/c28-20-6-7-26-24(13-20)25-14-22-18-9-16-8-17(10-18)12-19(11-16)23(22)15-27(25)29(26)21-4-2-1-3-5-21/h1-7,13-19H,8-12H2
InChIKeyFYEKVCRWBOFFEI-UHFFFAOYSA-N
MW397.95 g/mol
LogP7.83
Rot. Bonds1

About 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene

7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene (PubChem CID 163569616) has the molecular formula C27H24ClN and a molecular weight of 397.95 g/mol. Its IUPAC name is 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene.

Molecular Properties

Compound Name7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene
PubChem CID163569616
Molecular FormulaC27H24ClN
Molecular Weight397.95 g/mol
Exact Mass397.16
IUPAC Name7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene
SMILESClc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C1CC2CC(CC3C2)C1
InChIInChI=1S/C27H24ClN/c28-20-6-7-26-24(13-20)25-14-22-18-9-16-8-17(10-18)12-19(11-16)23(22)15-27(25)29(26)21-4-2-1-3-5-21/h1-7,13-19H,8-12H2
InChIKeyFYEKVCRWBOFFEI-UHFFFAOYSA-N
XLogP7.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene?
The IUPAC name of 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene (CID 163569616) is 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene.
What is the SMILES notation for 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene?
The canonical SMILES for 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene is Clc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C1CC2CC(CC3C2)C1.
What is the InChIKey of 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene?
The InChIKey is FYEKVCRWBOFFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN/c28-20-6-7-26-24(13-20)25-14-22-18-9-16-8-17(10-18)12-19(11-16)23(22)15-27(25)29(26)21-4-2-1-3-5-21/h1-7,13-19H,8-12H2.
What are the key properties of 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene?
7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene has a molecular weight of 397.95 g/mol, XLogP of 7.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene is sourced from PubChem (CID 163569616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).