2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline

C24H17ClN2 — CID 121437424

IUPAC2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline
SMILESNc1ccccc1N1c2ccccc2-c2ccccc2-c2cccc(Cl)c21
InChIInChI=1S/C24H17ClN2/c25-20-12-7-11-19-17-9-2-1-8-16(17)18-10-3-5-14-22(18)27(24(19)20)23-15-6-4-13-21(23)26/h1-15H,26H2
InChIKeyCBSMJJBDVCVNGH-UHFFFAOYSA-N
MW368.87 g/mol
LogP7.04
Rot. Bonds1

About 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline

2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline (PubChem CID 121437424) has the molecular formula C24H17ClN2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline.

Molecular Properties

Compound Name2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline
PubChem CID121437424
Molecular FormulaC24H17ClN2
Molecular Weight368.87 g/mol
Exact Mass368.11
IUPAC Name2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline
SMILESNc1ccccc1N1c2ccccc2-c2ccccc2-c2cccc(Cl)c21
InChIInChI=1S/C24H17ClN2/c25-20-12-7-11-19-17-9-2-1-8-16(17)18-10-3-5-14-22(18)27(24(19)20)23-15-6-4-13-21(23)26/h1-15H,26H2
InChIKeyCBSMJJBDVCVNGH-UHFFFAOYSA-N
XLogP7.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline with MolForge

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Related Compounds

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10-Chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 14941479
12-Chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 14941480
10,16-Dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 14941482
2-chloro-N-[4-[4-(2-chloroanilino)phenyl]phenyl]aniline
CID 141560987
12,16-Dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 14941481
10,18-Dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 14941483
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CID 71428347
2-[4-(4-Chlorophenyl)-2,6-diphenylpyridin-1(4H)-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline?
The IUPAC name of 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline (CID 121437424) is 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline.
What is the SMILES notation for 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline?
The canonical SMILES for 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline is Nc1ccccc1N1c2ccccc2-c2ccccc2-c2cccc(Cl)c21.
What is the InChIKey of 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline?
The InChIKey is CBSMJJBDVCVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2/c25-20-12-7-11-19-17-9-2-1-8-16(17)18-10-3-5-14-22(18)27(24(19)20)23-15-6-4-13-21(23)26/h1-15H,26H2.
What are the key properties of 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline?
2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline has a molecular weight of 368.87 g/mol, XLogP of 7.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-chloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl)aniline is sourced from PubChem (CID 121437424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).