(2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole

C33H42Br2N4 — CID 59105759

IUPAC(2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole
SMILESCCC1=C(C)/C(=C/c2[nH]c(Br)c(CC)c2CC)N=C1/C=c1\[nH]/c(=C\c2[nH]c(Br)c(CC)c2CC)c(C)c1CC
InChIInChI=1S/C33H42Br2N4/c1-9-20-18(7)26(15-30-22(11-3)24(13-5)32(34)38-30)36-28(20)17-29-21(10-2)19(8)27(37-29)16-31-23(12-4)25(14-6)33(35)39-31/h15-17,36,38-39H,9-14H2,1-8H3/b26-15-,27-16-,28-17-
InChIKeyNXTAPPSJMVRIFM-RZVJRTMLSA-N
MW654.54 g/mol
LogP8.15
Rot. Bonds9

About (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole

(2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole (PubChem CID 59105759) has the molecular formula C33H42Br2N4 and a molecular weight of 654.54 g/mol. Its IUPAC name is (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole.

Molecular Properties

Compound Name(2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole
PubChem CID59105759
Molecular FormulaC33H42Br2N4
Molecular Weight654.54 g/mol
Exact Mass652.18
IUPAC Name(2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole
SMILESCCC1=C(C)/C(=C/c2[nH]c(Br)c(CC)c2CC)N=C1/C=c1\[nH]/c(=C\c2[nH]c(Br)c(CC)c2CC)c(C)c1CC
InChIInChI=1S/C33H42Br2N4/c1-9-20-18(7)26(15-30-22(11-3)24(13-5)32(34)38-30)36-28(20)17-29-21(10-2)19(8)27(37-29)16-31-23(12-4)25(14-6)33(35)39-31/h15-17,36,38-39H,9-14H2,1-8H3/b26-15-,27-16-,28-17-
InChIKeyNXTAPPSJMVRIFM-RZVJRTMLSA-N
XLogP8.15
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.54
LogP ≤ 58.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole with MolForge

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Related Compounds

(2Z)-2-[(5-bromo-3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 138962845
4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one
CID 177482670
4-ethyl-5-[(E)-[(5Z)-4-ethyl-5-[[3-ethyl-5-[(Z)-[3-ethyl-5-[(1R,2R)-2-[(5E)-4-ethyl-5-[[4-ethyl-5-[(Z)-[(5E)-3-ethyl-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-yl]oxycyclohexyl]oxy-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one
CID 177494609
2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole
CID 23404508
4-ethyl-5-[(Z)-[4-ethyl-5-[(Z)-[(5Z)-3-ethyl-5-[(3-ethyl-5-hydroxy-4-methyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-3,4-dihydropyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one
CID 135749889
(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole
CID 5387607
3-[(5Z)-5-[[4-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-2-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
CID 98046493
methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate
CID 10349201
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3Z)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
CID 5460417
methyl 2-[2-[[5-[(3,4-diethylpyrrol-2-ylidene)methyl]-3-(2-methoxy-2-oxoethyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]acetate
CID 90827441
methyl 3-[2-[[5-[(3,4-diethylpyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 90804853
(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 139120696

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole?
The IUPAC name of (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole (CID 59105759) is (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole.
What is the SMILES notation for (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole?
The canonical SMILES for (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole is CCC1=C(C)/C(=C/c2[nH]c(Br)c(CC)c2CC)N=C1/C=c1\[nH]/c(=C\c2[nH]c(Br)c(CC)c2CC)c(C)c1CC.
What is the InChIKey of (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole?
The InChIKey is NXTAPPSJMVRIFM-RZVJRTMLSA-N. The full InChI is InChI=1S/C33H42Br2N4/c1-9-20-18(7)26(15-30-22(11-3)24(13-5)32(34)38-30)36-28(20)17-29-21(10-2)19(8)27(37-29)16-31-23(12-4)25(14-6)33(35)39-31/h15-17,36,38-39H,9-14H2,1-8H3/b26-15-,27-16-,28-17-.
What are the key properties of (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole?
(2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole has a molecular weight of 654.54 g/mol, XLogP of 8.15, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole is sourced from PubChem (CID 59105759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).