3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

C30H16N2 — CID 164841227

IUPAC3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c13)c1c([2H])c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n5c21
InChIInChI=1S/C30H16N2/c1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D
InChIKeyARGDZBVLESXRAI-NYCJPCIFSA-N
MW420.57 g/mol
LogP7.99
Rot. Bonds

About 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (PubChem CID 164841227) has the molecular formula C30H16N2 and a molecular weight of 420.57 g/mol. Its IUPAC name is 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.

Molecular Properties

Compound Name3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
PubChem CID164841227
Molecular FormulaC30H16N2
Molecular Weight420.57 g/mol
Exact Mass420.23
IUPAC Name3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c13)c1c([2H])c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n5c21
InChIInChI=1S/C30H16N2/c1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D
InChIKeyARGDZBVLESXRAI-NYCJPCIFSA-N
XLogP7.99
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene with MolForge

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Related Compounds

7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
CID 164841395
3,13,16,17,18,21,22,23,24-nonadeuterio-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-oxa-1-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 164788591
9-tert-butyl-3,4,5,6,10,11,14,15,16,17-decadeuterio-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 167379501
3,5,10,11,12,16,17,19,22,23,24-undecadeuterio-18-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-4-methyl-26-(2,3,4,5,6-pentadeuteriophenyl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaene
CID 167571385
3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 164841421
3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
CID 164841475
10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 164841318
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(3,4,5,6,9,11,14,16,17-nonadeuterio-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167681968
4-(2,3,4,5,6-pentadeuterio-N-[3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-25-(4-isocyano-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12,14,16(32),17,21(26),22,24,27,29-pentadecaen-10-yl]anilino)benzonitrile
CID 164841351
13-N,28-N-bis(4-cyclohexylphenyl)-3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 164841309
1-N,1-N,3-N-triphenyl-3-N-[3-(3,4,5,10,11,12,16,17,18,19,22,23,24-tridecadeuterio-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-26-yl)phenyl]benzene-1,3-diamine
CID 171416735
1,2,3,4,5,6,7,8-octadeuterio-9-[2,4-dideuterio-3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole
CID 59270844

Frequently Asked Questions

What is the IUPAC name of 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The IUPAC name of 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (CID 164841227) is 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.
What is the SMILES notation for 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The canonical SMILES for 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c13)c1c([2H])c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n5c21.
What is the InChIKey of 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The InChIKey is ARGDZBVLESXRAI-NYCJPCIFSA-N. The full InChI is InChI=1S/C30H16N2/c1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D.
What are the key properties of 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene has a molecular weight of 420.57 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is sourced from PubChem (CID 164841227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).