2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol

C38H22N6O2 — CID 147940389

IUPAC2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol
SMILESOc1c2cccc1c1nc3c(ccc4ccc5[nH]c(nc5c43)c3cccc(c3O)c3nc4c(ccc5ccc6c(nc2C6)c54)[nH]3)C1
InChIInChI=1S/C38H22N6O2/c45-35-21-3-1-4-22(35)28-16-20-10-8-18-12-14-26-34(30(18)32(20)40-28)44-38(42-26)24-6-2-5-23(36(24)46)37-41-25-13-11-17-7-9-19-15-27(21)39-31(19)29(17)33(25)43-37/h1-14,45-46H,15-16H2,(H,41,43)(H,42,44)
InChIKeyILQAZVCUUSYOBT-UHFFFAOYSA-N
MW594.63 g/mol
LogP8.05
Rot. Bonds

About 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol

2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol (PubChem CID 147940389) has the molecular formula C38H22N6O2 and a molecular weight of 594.63 g/mol. Its IUPAC name is 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol.

Molecular Properties

Compound Name2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol
PubChem CID147940389
Molecular FormulaC38H22N6O2
Molecular Weight594.63 g/mol
Exact Mass594.18
IUPAC Name2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol
SMILESOc1c2cccc1c1nc3c(ccc4ccc5[nH]c(nc5c43)c3cccc(c3O)c3nc4c(ccc5ccc6c(nc2C6)c54)[nH]3)C1
InChIInChI=1S/C38H22N6O2/c45-35-21-3-1-4-22(35)28-16-20-10-8-18-12-14-26-34(30(18)32(20)40-28)44-38(42-26)24-6-2-5-23(36(24)46)37-41-25-13-11-17-7-9-19-15-27(21)39-31(19)29(17)33(25)43-37/h1-14,45-46H,15-16H2,(H,41,43)(H,42,44)
InChIKeyILQAZVCUUSYOBT-UHFFFAOYSA-N
XLogP8.05
TPSA123.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.63
LogP ≤ 58.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 332972
2-[[4-[5-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]iminomethyl]phenol
CID 135971383
2-(1-Hydroxy-naphthalen-2-yl)-1H-benzoimidazole-5-carboxamidine
CID 135490854
2-[2-(3-tert-butyl-2-hydroxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 135879384
2,6-Bis[bis(2-benzimidazolyl-methyl)aminomethyl]-4-methylphenol
CID 15794189
2-(1-Phenyl-1h-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 136731979
2-[6-[2-[2-[2,5-dihydroxy-4-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1H-benzimidazol-2-yl]-5-methylbenzene-1,4-diol
CID 135997146
2-[6-[2-[2-[2,5-dihydroxy-4-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)phenyl]-3H-benzimidazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1H-benzimidazol-2-yl]-5-methylbenzene-1,4-diol
CID 135997151
2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol
CID 161373987
2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 136744327
4-Methyl-2,6-di(1h-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 137292081
5-(Diphenylamino)-2-(1h-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 139593988

Frequently Asked Questions

What is the IUPAC name of 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol?
The IUPAC name of 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol (CID 147940389) is 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol.
What is the SMILES notation for 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol?
The canonical SMILES for 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol is Oc1c2cccc1c1nc3c(ccc4ccc5[nH]c(nc5c43)c3cccc(c3O)c3nc4c(ccc5ccc6c(nc2C6)c54)[nH]3)C1.
What is the InChIKey of 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol?
The InChIKey is ILQAZVCUUSYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N6O2/c45-35-21-3-1-4-22(35)28-16-20-10-8-18-12-14-26-34(30(18)32(20)40-28)44-38(42-26)24-6-2-5-23(36(24)46)37-41-25-13-11-17-7-9-19-15-27(21)39-31(19)29(17)33(25)43-37/h1-14,45-46H,15-16H2,(H,41,43)(H,42,44).
What are the key properties of 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol?
2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol has a molecular weight of 594.63 g/mol, XLogP of 8.05, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,20,28,38,43-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol is sourced from PubChem (CID 147940389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).