(Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol

C32H30N4O — CID 135712441

IUPAC(Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol
SMILESCc1cc(C)c(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C=C3\N/C(=C\C4=NC2=C/C4=C/O)CC3(C)C)c(C)c1
InChIInChI=1S/C32H30N4O/c1-18-10-19(2)30(20(3)11-18)31-26-9-8-23(34-26)13-22-6-7-24(33-22)15-29-32(4,5)16-25(35-29)14-27-21(17-37)12-28(31)36-27/h6-15,17,35,37H,16H2,1-5H3/b21-17-,22-13-,25-14-,29-15-,31-26+
InChIKeySAZIAANKORJNNW-BTGMVGLCSA-N
MW486.62 g/mol
LogP6.81
Rot. Bonds1

About (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol

(Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol (PubChem CID 135712441) has the molecular formula C32H30N4O and a molecular weight of 486.62 g/mol. Its IUPAC name is (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol.

Molecular Properties

Compound Name(Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol
PubChem CID135712441
Molecular FormulaC32H30N4O
Molecular Weight486.62 g/mol
Exact Mass486.24
IUPAC Name(Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol
SMILESCc1cc(C)c(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C=C3\N/C(=C\C4=NC2=C/C4=C/O)CC3(C)C)c(C)c1
InChIInChI=1S/C32H30N4O/c1-18-10-19(2)30(20(3)11-18)31-26-9-8-23(34-26)13-22-6-7-24(33-22)15-29-32(4,5)16-25(35-29)14-27-21(17-37)12-28(31)36-27/h6-15,17,35,37H,16H2,1-5H3/b21-17-,22-13-,25-14-,29-15-,31-26+
InChIKeySAZIAANKORJNNW-BTGMVGLCSA-N
XLogP6.81
TPSA69.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

13,13-dimethyl-20-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-22,24-dihydro-2H-porphyrin
CID 87842183
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
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 (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol?
The IUPAC name of (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol (CID 135712441) is (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol.
What is the SMILES notation for (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol?
The canonical SMILES for (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol is Cc1cc(C)c(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C=C3\N/C(=C\C4=NC2=C/C4=C/O)CC3(C)C)c(C)c1.
What is the InChIKey of (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol?
The InChIKey is SAZIAANKORJNNW-BTGMVGLCSA-N. The full InChI is InChI=1S/C32H30N4O/c1-18-10-19(2)30(20(3)11-18)31-26-9-8-23(34-26)13-22-6-7-24(33-22)15-29-32(4,5)16-25(35-29)14-27-21(17-37)12-28(31)36-27/h6-15,17,35,37H,16H2,1-5H3/b21-17-,22-13-,25-14-,29-15-,31-26+.
What are the key properties of (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol?
(Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol has a molecular weight of 486.62 g/mol, XLogP of 6.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18,24-dihydroporphyrin-2-ylidene]methanol is sourced from PubChem (CID 135712441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).