24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene

C46H38N4O — CID 132530319

IUPAC24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
SMILESCc1ccc(-c2c3nc(c4ccc(c(-c5ccc(C)cc5)c5ccc(o5)c(-c5ccc(C)cc5)c5ccc(c6ccc2[nH]6)n5C)n4C)C=C3)cc1
InChIInChI=1S/C46H38N4O/c1-28-6-12-31(13-7-28)44-36-20-18-34(47-36)38-22-24-40(49(38)4)45(32-14-8-29(2)9-15-32)42-26-27-43(51-42)46(33-16-10-30(3)11-17-33)41-25-23-39(50(41)5)35-19-21-37(44)48-35/h6-27,47H,1-5H3/b38-34-,39-35-,44-36-,44-37-,45-40-,45-42-,46-41-,46-43-
InChIKeyLOJKMIPZJBZXQJ-XMPPAASUSA-N
MW662.84 g/mol
LogP11.95
Rot. Bonds3

About 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene

24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene (PubChem CID 132530319) has the molecular formula C46H38N4O and a molecular weight of 662.84 g/mol. Its IUPAC name is 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
PubChem CID132530319
Molecular FormulaC46H38N4O
Molecular Weight662.84 g/mol
Exact Mass662.30
IUPAC Name24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
SMILESCc1ccc(-c2c3nc(c4ccc(c(-c5ccc(C)cc5)c5ccc(o5)c(-c5ccc(C)cc5)c5ccc(c6ccc2[nH]6)n5C)n4C)C=C3)cc1
InChIInChI=1S/C46H38N4O/c1-28-6-12-31(13-7-28)44-36-20-18-34(47-36)38-22-24-40(49(38)4)45(32-14-8-29(2)9-15-32)42-26-27-43(51-42)46(33-16-10-30(3)11-17-33)41-25-23-39(50(41)5)35-19-21-37(44)48-35/h6-27,47H,1-5H3/b38-34-,39-35-,44-36-,44-37-,45-40-,45-42-,46-41-,46-43-
InChIKeyLOJKMIPZJBZXQJ-XMPPAASUSA-N
XLogP11.95
TPSA51.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene with MolForge

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Related Compounds

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CID 11125302
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
5,10,15,20-tetrakis(4-tert-butylphenyl)-23-methyl-21H-porphyrin
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nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
[6-(4-ethynylphenyl)-15,20-bis(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaen-27-yl]-difluoroborane
CID 136695445
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
6,11,16,21-tetraphenyl-26,28-dioxa-25,27,29-triazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,7,9,11,13,15,17,19,21,23-tridecaene
CID 136674648
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
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5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
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6-[4-(2-cyclopenta-2,4-dien-1-ylethynyl)phenyl]-15,20-bis(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
CID 136814351

Frequently Asked Questions

What is the IUPAC name of 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene (CID 132530319) is 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene is Cc1ccc(-c2c3nc(c4ccc(c(-c5ccc(C)cc5)c5ccc(o5)c(-c5ccc(C)cc5)c5ccc(c6ccc2[nH]6)n5C)n4C)C=C3)cc1.
What is the InChIKey of 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is LOJKMIPZJBZXQJ-XMPPAASUSA-N. The full InChI is InChI=1S/C46H38N4O/c1-28-6-12-31(13-7-28)44-36-20-18-34(47-36)38-22-24-40(49(38)4)45(32-14-8-29(2)9-15-32)42-26-27-43(51-42)46(33-16-10-30(3)11-17-33)41-25-23-39(50(41)5)35-19-21-37(44)48-35/h6-27,47H,1-5H3/b38-34-,39-35-,44-36-,44-37-,45-40-,45-42-,46-41-,46-43-.
What are the key properties of 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene?
24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 662.84 g/mol, XLogP of 11.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24,26-dimethyl-6,15,20-tris(4-methylphenyl)-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 132530319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).