13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene

C28H21N — CID 170394259

IUPAC13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene
SMILESCc1ccc2c(C)cc3c4c2c1C(c1ccccc1)C1=Nc2cccc(c2C14)C3
InChIInChI=1S/C28H21N/c1-15-11-12-20-16(2)13-19-14-18-9-6-10-21-23(18)27-24(19)26(20)22(15)25(28(27)29-21)17-7-4-3-5-8-17/h3-13,25,27H,14H2,1-2H3
InChIKeyAMLOHYCLOPTWLR-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.72
Rot. Bonds1

About 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene

13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene (PubChem CID 170394259) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene.

Molecular Properties

Compound Name13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene
PubChem CID170394259
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene
SMILESCc1ccc2c(C)cc3c4c2c1C(c1ccccc1)C1=Nc2cccc(c2C14)C3
InChIInChI=1S/C28H21N/c1-15-11-12-20-16(2)13-19-14-18-9-6-10-21-23(18)27-24(19)26(20)22(15)25(28(27)29-21)17-7-4-3-5-8-17/h3-13,25,27H,14H2,1-2H3
InChIKeyAMLOHYCLOPTWLR-UHFFFAOYSA-N
XLogP6.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene with MolForge

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Related Compounds

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CID 170394261
12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene
CID 170394219
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2,6-dimethyl-1H-phenalene
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triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane
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Frequently Asked Questions

What is the IUPAC name of 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene?
The IUPAC name of 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene (CID 170394259) is 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene.
What is the SMILES notation for 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene?
The canonical SMILES for 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene is Cc1ccc2c(C)cc3c4c2c1C(c1ccccc1)C1=Nc2cccc(c2C14)C3.
What is the InChIKey of 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene?
The InChIKey is AMLOHYCLOPTWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-15-11-12-20-16(2)13-19-14-18-9-6-10-21-23(18)27-24(19)26(20)22(15)25(28(27)29-21)17-7-4-3-5-8-17/h3-13,25,27H,14H2,1-2H3.
What are the key properties of 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene?
13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene has a molecular weight of 371.48 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,17-dimethyl-11-phenyl-9-azahexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),3,5,7,9,12,14,16(20),17-nonaene is sourced from PubChem (CID 170394259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).