CID 144685388

C19H11Al3N4 — CID 144685388

IUPAC—
SMILES[Al]c1c2nc(c([Al])c3ccc([nH]3)c3ccc([nH]3)c([Al])c3ccc1[nH]3)C=C2
InChIInChI=1S/C19H11N4.3Al/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14;;;/h1-8,20,22-23H;;;/b12-9?,13-9?,14-10?,15-11?,16-10?,17-11?,19-18-;;;
InChIKeyZPHBHYHIQHETGP-XPPOMNILSA-N
MW376.27 g/mol
LogP1.08
Rot. Bonds

About CID 144685388

CID 144685388 (PubChem CID 144685388) has the molecular formula C19H11Al3N4 and a molecular weight of 376.27 g/mol.

Molecular Properties

Compound NameCID 144685388
PubChem CID144685388
Molecular FormulaC19H11Al3N4
Molecular Weight376.27 g/mol
Exact Mass376.04
IUPAC Name—
SMILES[Al]c1c2nc(c([Al])c3ccc([nH]3)c3ccc([nH]3)c([Al])c3ccc1[nH]3)C=C2
InChIInChI=1S/C19H11N4.3Al/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14;;;/h1-8,20,22-23H;;;/b12-9?,13-9?,14-10?,15-11?,16-10?,17-11?,19-18-;;;
InChIKeyZPHBHYHIQHETGP-XPPOMNILSA-N
XLogP1.08
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetraconta-1,3,5(40),6(39),7,9,11,13(38),14(37),15,17,19,21(36),22(35),23,25,27,29(34),30(33),31-icosaene;33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetraconta-1,3,5,7,9(39),10(38),11,13,15,17(37),18,20,22(35),23,25,27,29(34),30(33),31-nonadecaene
CID 159003461
5,10,15,20-Tetraborylporphyrin
CID 25195400
15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 137265355
5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin
CID 11092709
2,7,12,17,22,27,32,37,42,47-decakis(trifluoromethyl)-51,52,53,54,55,56,57,58,59,60-decazaundecacyclo[46.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36.138,41.143,46]hexaconta-1(51),2,4,6,8,10,12,14,16(58),17,19,21,23(56),24,26,28,30,32,34,36,38(53),39,41,43,45,47,49-heptacosaene
CID 136859231
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956
5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10099782
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
5,10,15-tris(4-tert-butylphenyl)-22,24-dihydro-21H-corrin
CID 74788342
5-[10,15-bis(3,5-dihydroxyphenyl)-23,24-dihydro-22H-corrin-5-yl]benzene-1,3-diol
CID 136714961
5,10,15-tris(2,6-dibromophenyl)-22,23-dihydro-21H-corrin
CID 137266912

Frequently Asked Questions

What is the IUPAC name of CID 144685388?
The IUPAC name of CID 144685388 (CID 144685388) is not available.
What is the SMILES notation for CID 144685388?
The canonical SMILES for CID 144685388 is [Al]c1c2nc(c([Al])c3ccc([nH]3)c3ccc([nH]3)c([Al])c3ccc1[nH]3)C=C2.
What is the InChIKey of CID 144685388?
The InChIKey is ZPHBHYHIQHETGP-XPPOMNILSA-N. The full InChI is InChI=1S/C19H11N4.3Al/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14;;;/h1-8,20,22-23H;;;/b12-9?,13-9?,14-10?,15-11?,16-10?,17-11?,19-18-;;;.
What are the key properties of CID 144685388?
CID 144685388 has a molecular weight of 376.27 g/mol, XLogP of 1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144685388 is sourced from PubChem (CID 144685388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).