(5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole

C37H53N — CID 137380869

IUPAC(5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole
SMILESC=C(/C=C\C=C/C)/C=C(C)/C(CC)=C(CC)\C(C)=C\C(C)=C(CC)\C(CC)=C(C)\C=C1/N=C(C)C(C)=C1C
InChIInChI=1S/C37H53N/c1-14-19-20-21-25(6)22-26(7)33(15-2)34(16-3)27(8)23-28(9)35(17-4)36(18-5)29(10)24-37-31(12)30(11)32(13)38-37/h14,19-24H,6,15-18H2,1-5,7-13H3/b19-14-,21-20-,26-22+,27-23+,34-33-,35-28+,36-29+,37-24-
InChIKeyACSHRCPQUGPJLM-STNQAHTRSA-N
MW511.84 g/mol
LogP11.83
Rot. Bonds12

About (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole

(5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole (PubChem CID 137380869) has the molecular formula C37H53N and a molecular weight of 511.84 g/mol. Its IUPAC name is (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole.

Molecular Properties

Compound Name(5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole
PubChem CID137380869
Molecular FormulaC37H53N
Molecular Weight511.84 g/mol
Exact Mass511.42
IUPAC Name(5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole
SMILESC=C(/C=C\C=C/C)/C=C(C)/C(CC)=C(CC)\C(C)=C\C(C)=C(CC)\C(CC)=C(C)\C=C1/N=C(C)C(C)=C1C
InChIInChI=1S/C37H53N/c1-14-19-20-21-25(6)22-26(7)33(15-2)34(16-3)27(8)23-28(9)35(17-4)36(18-5)29(10)24-37-31(12)30(11)32(13)38-37/h14,19-24H,6,15-18H2,1-5,7-13H3/b19-14-,21-20-,26-22+,27-23+,34-33-,35-28+,36-29+,37-24-
InChIKeyACSHRCPQUGPJLM-STNQAHTRSA-N
XLogP11.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.84
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole with MolForge

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Related Compounds

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2-Butylcyclopenta[b]pyrrole
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2,3,5,7,8,10,12,13-Octaethylporphyrin
CID 66586408
2,3,5,7,8,10,12,13-Octaethylporphyrin;ZINC
CID 66586467
Copper;2,3,5,7,8,10,12,13-octaethylporphyrin
CID 66663117
2,3,5,7,8,10,12,13-Octakis(prop-2-enyl)porphyrin
CID 66894192
2,12-Bis(ethenyl)-7,17-diethyl-3,8,13,18-tetramethylporphyrin
CID 67850296
2,3,5,7-Tetraethyl-8,10,12,13-tetramethylporphyrin
CID 68114565
2,3,5,7-Tetramethylporphyrin
CID 68718997
5,15-Dipentylporphyrin
CID 69088510
2-Ethenyl-7,12,17-triethyl-3,8,13,18-tetramethylporphyrin
CID 70294223
2,3,5,7,8,10,12,13-Octamethylporphyrin
CID 70296448

Frequently Asked Questions

What is the IUPAC name of (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole?
The IUPAC name of (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole (CID 137380869) is (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole.
What is the SMILES notation for (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole?
The canonical SMILES for (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole is C=C(/C=C\C=C/C)/C=C(C)/C(CC)=C(CC)\C(C)=C\C(C)=C(CC)\C(CC)=C(C)\C=C1/N=C(C)C(C)=C1C.
What is the InChIKey of (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole?
The InChIKey is ACSHRCPQUGPJLM-STNQAHTRSA-N. The full InChI is InChI=1S/C37H53N/c1-14-19-20-21-25(6)22-26(7)33(15-2)34(16-3)27(8)23-28(9)35(17-4)36(18-5)29(10)24-37-31(12)30(11)32(13)38-37/h14,19-24H,6,15-18H2,1-5,7-13H3/b19-14-,21-20-,26-22+,27-23+,34-33-,35-28+,36-29+,37-24-.
What are the key properties of (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole?
(5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole has a molecular weight of 511.84 g/mol, XLogP of 11.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole is sourced from PubChem (CID 137380869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).