21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol

C33H30N4O — CID 135879786

IUPAC21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol
SMILESCc1cc(C)c(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C=C3\N/C(=C4/CC(O)=C5C=C2N=C54)CC3(C)C)c(C)c1
InChIInChI=1S/C33H30N4O/c1-17-10-18(2)30(19(3)11-17)31-25-9-8-21(35-25)12-20-6-7-22(34-20)13-29-33(4,5)16-27(36-29)23-15-28(38)24-14-26(31)37-32(23)24/h6-14,36,38H,15-16H2,1-5H3/b20-12-,27-23-,29-13-,31-25+
InChIKeyTVXJMBXAWYTXAE-FBVYTXJASA-N
MW498.63 g/mol
LogP6.95
Rot. Bonds1

About 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol

21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol (PubChem CID 135879786) has the molecular formula C33H30N4O and a molecular weight of 498.63 g/mol. Its IUPAC name is 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol.

Molecular Properties

Compound Name21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol
PubChem CID135879786
Molecular FormulaC33H30N4O
Molecular Weight498.63 g/mol
Exact Mass498.24
IUPAC Name21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol
SMILESCc1cc(C)c(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C=C3\N/C(=C4/CC(O)=C5C=C2N=C54)CC3(C)C)c(C)c1
InChIInChI=1S/C33H30N4O/c1-17-10-18(2)30(19(3)11-17)31-25-9-8-21(35-25)12-20-6-7-22(34-20)13-29-33(4,5)16-27(36-29)23-15-28(38)24-14-26(31)37-32(23)24/h6-14,36,38H,15-16H2,1-5H3/b20-12-,27-23-,29-13-,31-25+
InChIKeyTVXJMBXAWYTXAE-FBVYTXJASA-N
XLogP6.95
TPSA69.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol 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

3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol
CID 135403238
(1Z)-1-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]ethanol
CID 135510036
21,21-Dimethyl-14-(4-methylphenyl)-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol
CID 135541558
1-[17,17-Dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]ethanol
CID 135979810
3,3,10-trimethyl-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol
CID 136001485
20-iodo-3,3,10-trimethyl-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol
CID 136001487
13-Acetyl-17,18-dihydro-10-mesityl-18,18-dimethyl-5-p-tolylporphyrin
CID 136356819
10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-22,24-dihydro-12H-porphyrin-2-ol
CID 136457439
3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-22,24-dihydro-12H-porphyrin-2-ol
CID 136487512
20-iodo-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-22,24-dihydro-12H-porphyrin-2-ol
CID 136487673
1-[17,17-Dimethyl-10-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-7,18,22,23-tetrahydroporphyrin-2-ylidene]ethanol
CID 136628052
21,21-Dimethyl-14-(4-methylphenyl)-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,12,14,16,18,20(23)-decaen-4-ol
CID 136651048

Frequently Asked Questions

What is the IUPAC name of 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol?
The IUPAC name of 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol (CID 135879786) is 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol.
What is the SMILES notation for 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol?
The canonical SMILES for 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol is Cc1cc(C)c(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C=C3\N/C(=C4/CC(O)=C5C=C2N=C54)CC3(C)C)c(C)c1.
What is the InChIKey of 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol?
The InChIKey is TVXJMBXAWYTXAE-FBVYTXJASA-N. The full InChI is InChI=1S/C33H30N4O/c1-17-10-18(2)30(19(3)11-17)31-25-9-8-21(35-25)12-20-6-7-22(34-20)13-29-33(4,5)16-27(36-29)23-15-28(38)24-14-26(31)37-32(23)24/h6-14,36,38H,15-16H2,1-5H3/b20-12-,27-23-,29-13-,31-25+.
What are the key properties of 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol?
21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol has a molecular weight of 498.63 g/mol, XLogP of 6.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21,21-dimethyl-9-(2,4,6-trimethylphenyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-ol is sourced from PubChem (CID 135879786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).