6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene

C49H37N4O4+ — CID 10260194

IUPAC6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene
SMILESCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=C3/C=CC(=[NH+]3)c3c4ccc(OC)cc4cc4cc([nH]c34)/C(c3ccc(OC)cc3)=C3/C=CC2=N3)cc1
InChIInChI=1S/C49H36N4O4/c1-54-33-11-5-28(6-12-33)45-38-19-20-39(50-38)46(29-7-13-34(55-2)14-8-29)41-23-24-43(52-41)48-37-18-17-36(57-4)26-31(37)25-32-27-44(53-49(32)48)47(42-22-21-40(45)51-42)30-9-15-35(56-3)16-10-30/h5-27,53H,1-4H3/p+1/b45-38-,46-41-,47-42-
InChIKeyHYVOBVKREUWPRG-PVHXQGNRSA-O
MW745.86 g/mol
LogP8.41
Rot. Bonds7

About 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene

6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene (PubChem CID 10260194) has the molecular formula C49H37N4O4+ and a molecular weight of 745.86 g/mol. Its IUPAC name is 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene.

Molecular Properties

Compound Name6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene
PubChem CID10260194
Molecular FormulaC49H37N4O4+
Molecular Weight745.86 g/mol
Exact Mass745.28
IUPAC Name6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene
SMILESCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=C3/C=CC(=[NH+]3)c3c4ccc(OC)cc4cc4cc([nH]c34)/C(c3ccc(OC)cc3)=C3/C=CC2=N3)cc1
InChIInChI=1S/C49H36N4O4/c1-54-33-11-5-28(6-12-33)45-38-19-20-39(50-38)46(29-7-13-34(55-2)14-8-29)41-23-24-43(52-41)48-37-18-17-36(57-4)26-31(37)25-32-27-44(53-49(32)48)47(42-22-21-40(45)51-42)30-9-15-35(56-3)16-10-30/h5-27,53H,1-4H3/p+1/b45-38-,46-41-,47-42-
InChIKeyHYVOBVKREUWPRG-PVHXQGNRSA-O
XLogP8.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.86
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene 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

iron;5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin;hydrochloride
CID 90198679
(2Z,6Z,11Z,17Z)-2,7,12-tris(4-methoxyphenyl)-22,23-dithia-24,25-diazapentacyclo[17.2.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,8(24),9,11,13,15,17,19-undecaene
CID 177441942
(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin
CID 139253411
5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium
CID 101236446
N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide
CID 70040407
ethane;6-methoxy-3-(4-propan-2-yloxyphenyl)-2H-isoquinolin-1-one
CID 144609811
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
CID 102450798
palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate
CID 62705347
7,12-bis(4-tert-butylphenyl)-19,21-dimethoxy-20-methyl-2,17-diphenyl-23,24,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),2,4,6(25),7,9,11,13(23),14,16,18,20-dodecaene
CID 135627658
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium
CID 70813775

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene?
The IUPAC name of 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene (CID 10260194) is 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene.
What is the SMILES notation for 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene?
The canonical SMILES for 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene is COc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=C3/C=CC(=[NH+]3)c3c4ccc(OC)cc4cc4cc([nH]c34)/C(c3ccc(OC)cc3)=C3/C=CC2=N3)cc1.
What is the InChIKey of 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene?
The InChIKey is HYVOBVKREUWPRG-PVHXQGNRSA-O. The full InChI is InChI=1S/C49H36N4O4/c1-54-33-11-5-28(6-12-33)45-38-19-20-39(50-38)46(29-7-13-34(55-2)14-8-29)41-23-24-43(52-41)48-37-18-17-36(57-4)26-31(37)25-32-27-44(53-49(32)48)47(42-22-21-40(45)51-42)30-9-15-35(56-3)16-10-30/h5-27,53H,1-4H3/p+1/b45-38-,46-41-,47-42-.
What are the key properties of 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene?
6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene has a molecular weight of 745.86 g/mol, XLogP of 8.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene is sourced from PubChem (CID 10260194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).