1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene

C20H11N — CID 155206644

IUPAC1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene
SMILESC1=Cc2cccc3c4cccc5c6cccc1c6n(c23)c54
InChIInChI=1S/C20H11N/c1-4-12-10-11-13-5-2-7-15-17-9-3-8-16-14(6-1)18(12)21(19(13)15)20(16)17/h1-11H
InChIKeyIGDFBIDHAJTHDU-UHFFFAOYSA-N
MW265.31 g/mol
LogP5.32
Rot. Bonds

About 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene

1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene (PubChem CID 155206644) has the molecular formula C20H11N and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene.

Molecular Properties

Compound Name1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene
PubChem CID155206644
Molecular FormulaC20H11N
Molecular Weight265.31 g/mol
Exact Mass265.09
IUPAC Name1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene
SMILESC1=Cc2cccc3c4cccc5c6cccc1c6n(c23)c54
InChIInChI=1S/C20H11N/c1-4-12-10-11-13-5-2-7-15-17-9-3-8-16-14(6-1)18(12)21(19(13)15)20(16)17/h1-11H
InChIKeyIGDFBIDHAJTHDU-UHFFFAOYSA-N
XLogP5.32
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

13-thia-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 177106440
13-oxa-1-azahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 171732680
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
1,11,17-triazahexacyclo[10.9.1.02,7.03,20.08,22.016,21]docosa-2,4,6,8(22),9,11,16,18,20-nonaene
CID 167116322
5-acenaphthylen-5-ylacenaphthylene
CID 14931397
7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene
CID 177452271
5-(10-dibenzofuran-2-ylanthracen-9-yl)-1-azahexacyclo[10.6.1.02,7.03,17.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene
CID 171716863
ethane;12-thia-1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene
CID 156790797
5-[3-(3-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 158643632
acenaphthylene-5-thiol
CID 22590265
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
CID 138506886
5,38-diazaheptadecacyclo[36.28.1.15,30.02,37.04,35.06,29.08,27.09,14.015,20.021,26.039,62.041,60.042,47.048,53.054,59.063,67.034,68]octahexaconta-1(66),2,4(35),6(29),7,9,11,13,15,17,19,21,23,25,27,30(68),31,33,36,39(62),40,42,44,46,48,50,52,54,56,58,60,63(67),64-tritriacontaene
CID 170210969

Frequently Asked Questions

What is the IUPAC name of 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene?
The IUPAC name of 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene (CID 155206644) is 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene.
What is the SMILES notation for 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene?
The canonical SMILES for 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene is C1=Cc2cccc3c4cccc5c6cccc1c6n(c23)c54.
What is the InChIKey of 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene?
The InChIKey is IGDFBIDHAJTHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N/c1-4-12-10-11-13-5-2-7-15-17-9-3-8-16-14(6-1)18(12)21(19(13)15)20(16)17/h1-11H.
What are the key properties of 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene?
1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene has a molecular weight of 265.31 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azahexacyclo[10.8.1.02,7.03,19.08,21.015,20]henicosa-2,4,6,8,10,12(21),13,15(20),16,18-decaene is sourced from PubChem (CID 155206644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).