3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline

C32H35N5O — CID 177045492

IUPAC3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline
SMILESCNc1cccc(-c2c3nc(cc4ccc([nH]4)c(OC)c4nc(cc5ccc2[nH]5)C(C)(C)C4)C(C)(C)C3)c1
InChIInChI=1S/C32H35N5O/c1-31(2)17-25-29(19-8-7-9-20(14-19)33-5)23-12-10-21(34-23)15-28-32(3,4)18-26(37-28)30(38-6)24-13-11-22(35-24)16-27(31)36-25/h7-16,33-35H,17-18H2,1-6H3/b21-15-,22-16-,27-16-,28-15-,29-23-,29-25-,30-24+,30-26+
InChIKeyIRMJZECMZCFRSU-HJXLPYBMSA-N
MW505.67 g/mol
LogP7.07
Rot. Bonds3

About 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline

3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline (PubChem CID 177045492) has the molecular formula C32H35N5O and a molecular weight of 505.67 g/mol. Its IUPAC name is 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline
PubChem CID177045492
Molecular FormulaC32H35N5O
Molecular Weight505.67 g/mol
Exact Mass505.28
IUPAC Name3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline
SMILESCNc1cccc(-c2c3nc(cc4ccc([nH]4)c(OC)c4nc(cc5ccc2[nH]5)C(C)(C)C4)C(C)(C)C3)c1
InChIInChI=1S/C32H35N5O/c1-31(2)17-25-29(19-8-7-9-20(14-19)33-5)23-12-10-21(34-23)15-28-32(3,4)18-26(37-28)30(38-6)24-13-11-22(35-24)16-27(31)36-25/h7-16,33-35H,17-18H2,1-6H3/b21-15-,22-16-,27-16-,28-15-,29-23-,29-25-,30-24+,30-26+
InChIKeyIRMJZECMZCFRSU-HJXLPYBMSA-N
XLogP7.07
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline with MolForge

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Related Compounds

methyl 4-[12-[4-(21,23-dihydroporphyrin-5-yl)phenyl]-20-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]benzoate
CID 169180168
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
CID 11642161
methyl 20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate
CID 45141216
(12-bromo-10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl) thiohypobromite
CID 142365677
3,3,7,8,10,13,13,17,18-nonamethyl-20-phenyl-2,12,22,24-tetrahydroporphyrin
CID 164676793
3-(2-fluoro-6-methoxyphenyl)-N-methylaniline
CID 70269151
1-[12-[2-[4-(dimethylamino)phenyl]ethynyl]-20-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]ethanone
CID 102292318
ethyl 12-ethyl-10-methoxy-7,7,17,17-tetramethyl-3,13-diphenyl-8,18,21,23-tetrahydroporphyrin-2-carboxylate
CID 153308997
3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929
3-(1H-indol-5-yl)-N-methylaniline
CID 116996135
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
10-(2-methoxyethoxy)-3,3,13,13-tetramethyl-7,17-bis(4-methylphenyl)-2,12,22,24-tetrahydroporphyrin
CID 90327574

Frequently Asked Questions

What is the IUPAC name of 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline?
The IUPAC name of 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline (CID 177045492) is 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline.
What is the SMILES notation for 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline?
The canonical SMILES for 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline is CNc1cccc(-c2c3nc(cc4ccc([nH]4)c(OC)c4nc(cc5ccc2[nH]5)C(C)(C)C4)C(C)(C)C3)c1.
What is the InChIKey of 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline?
The InChIKey is IRMJZECMZCFRSU-HJXLPYBMSA-N. The full InChI is InChI=1S/C32H35N5O/c1-31(2)17-25-29(19-8-7-9-20(14-19)33-5)23-12-10-21(34-23)15-28-32(3,4)18-26(37-28)30(38-6)24-13-11-22(35-24)16-27(31)36-25/h7-16,33-35H,17-18H2,1-6H3/b21-15-,22-16-,27-16-,28-15-,29-23-,29-25-,30-24+,30-26+.
What are the key properties of 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline?
3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline has a molecular weight of 505.67 g/mol, XLogP of 7.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(15-methoxy-2,2,12,12-tetramethyl-3,13,22,24-tetrahydroporphyrin-5-yl)-N-methylaniline is sourced from PubChem (CID 177045492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).