21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene

C27H16N2 — CID 177095574

IUPAC21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
SMILESc1ccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)nc1
InChIInChI=1S/C27H16N2/c1-2-8-19-17(7-1)12-13-25-26(19)22-16-18(23-10-5-6-14-28-23)15-21-20-9-3-4-11-24(20)29(25)27(21)22/h1-16H
InChIKeyLAFWZORZBMUBBF-UHFFFAOYSA-N
MW368.44 g/mol
LogP7.05
Rot. Bonds1

About 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene

21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene (PubChem CID 177095574) has the molecular formula C27H16N2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
PubChem CID177095574
Molecular FormulaC27H16N2
Molecular Weight368.44 g/mol
Exact Mass368.13
IUPAC Name21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
SMILESc1ccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)nc1
InChIInChI=1S/C27H16N2/c1-2-8-19-17(7-1)12-13-25-26(19)22-16-18(23-10-5-6-14-28-23)15-21-20-9-3-4-11-24(20)29(25)27(21)22/h1-16H
InChIKeyLAFWZORZBMUBBF-UHFFFAOYSA-N
XLogP7.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene with MolForge

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Related Compounds

5,10-bis(4,6-dipyridin-2-yl-2-pyridinyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene
CID 164839242
7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
5-(4-tert-butyl-2-pyridinyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13,15,17,19(23),20-undecaene
CID 168733977
10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 163766201
4-pyridin-2-yl-23-thia-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 164803100
24-tert-butyl-19-pyridin-2-yl-4-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.05,10.016,21.022,26]hexacosa-1(25),2(14),3(11),5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 168771836
24-tert-butyl-19-pyridin-2-yl-4-thia-15-azaheptacyclo[13.10.1.02,14.03,11.05,10.016,21.022,26]hexacosa-1(25),2(14),3(11),5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 164803412
16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
CID 148871817
21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene
CID 130258694
28-methyl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
CID 138752081
9-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130260221
3-(4-phenylquinazolin-2-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259165

Frequently Asked Questions

What is the IUPAC name of 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
The IUPAC name of 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene (CID 177095574) is 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene.
What is the SMILES notation for 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
The canonical SMILES for 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene is c1ccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)nc1.
What is the InChIKey of 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
The InChIKey is LAFWZORZBMUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N2/c1-2-8-19-17(7-1)12-13-25-26(19)22-16-18(23-10-5-6-14-28-23)15-21-20-9-3-4-11-24(20)29(25)27(21)22/h1-16H.
What are the key properties of 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene has a molecular weight of 368.44 g/mol, XLogP of 7.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 177095574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).