(2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole

C50H37N3 — CID 177419643

IUPAC(2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole
SMILESC1=CCC(/C(=C2\C=CC(/C(c3ccccc3)=c3/cc/c(=C(/C4=N/C(=C(/C5=CC=CC5)c5ccccc5)C=C4)c4ccccc4)[nH]3)=N2)c2ccccc2)=C1
InChIInChI=1S/C50H37N3/c1-5-17-35(18-6-1)47(37-25-13-14-26-37)41-29-31-43(51-41)49(39-21-9-3-10-22-39)45-33-34-46(53-45)50(40-23-11-4-12-24-40)44-32-30-42(52-44)48(38-27-15-16-28-38)36-19-7-2-8-20-36/h1-25,27,29-34,53H,26,28H2/b47-41+,48-42+,49-45-,50-46-
InChIKeyYXTJXNIODVZJSH-CAZWYEDRSA-N
MW679.87 g/mol
LogP10.03
Rot. Bonds8

About (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole

(2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole (PubChem CID 177419643) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole.

Molecular Properties

Compound Name(2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole
PubChem CID177419643
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name(2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole
SMILESC1=CCC(/C(=C2\C=CC(/C(c3ccccc3)=c3/cc/c(=C(/C4=N/C(=C(/C5=CC=CC5)c5ccccc5)C=C4)c4ccccc4)[nH]3)=N2)c2ccccc2)=C1
InChIInChI=1S/C50H37N3/c1-5-17-35(18-6-1)47(37-25-13-14-26-37)41-29-31-43(51-41)49(39-21-9-3-10-22-39)45-33-34-46(53-45)50(40-23-11-4-12-24-40)44-32-30-42(52-44)48(38-27-15-16-28-38)36-19-7-2-8-20-36/h1-25,27,29-34,53H,26,28H2/b47-41+,48-42+,49-45-,50-46-
InChIKeyYXTJXNIODVZJSH-CAZWYEDRSA-N
XLogP10.03
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 510.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole with MolForge

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Related Compounds

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CID 101793843
25-Methyl-2,13,24-tris(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,28,29-hexakis-phenyl-26,33,34,35,36,37-hexazahexacyclo[28.2.1.13,6.19,12.114,17.120,23]heptatriaconta-1,3(37),4,6,8,10,12(36),13,15,17,19,21,23,25,27,29,31-heptadecaene
CID 162415867
2,13,24,35-Tetrakis(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,29,30,40,41-octakis-phenyl-45,46,47,48,49,50,51,52-octazanonacyclo[40.2.1.13,6.19,12.114,17.120,23.125,28.131,34.136,39]dopentaconta-1(45),2,4,6,8,10,12(51),13,15,17,19,21,23(49),24,26,28,30,32,34(47),35,37,39,41,43-tetracosaene
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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole?
The IUPAC name of (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole (CID 177419643) is (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole.
What is the SMILES notation for (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole?
The canonical SMILES for (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole is C1=CCC(/C(=C2\C=CC(/C(c3ccccc3)=c3/cc/c(=C(/C4=N/C(=C(/C5=CC=CC5)c5ccccc5)C=C4)c4ccccc4)[nH]3)=N2)c2ccccc2)=C1.
What is the InChIKey of (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole?
The InChIKey is YXTJXNIODVZJSH-CAZWYEDRSA-N. The full InChI is InChI=1S/C50H37N3/c1-5-17-35(18-6-1)47(37-25-13-14-26-37)41-29-31-43(51-41)49(39-21-9-3-10-22-39)45-33-34-46(53-45)50(40-23-11-4-12-24-40)44-32-30-42(52-44)48(38-27-15-16-28-38)36-19-7-2-8-20-36/h1-25,27,29-34,53H,26,28H2/b47-41+,48-42+,49-45-,50-46-.
What are the key properties of (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole?
(2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole has a molecular weight of 679.87 g/mol, XLogP of 10.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]-5-[(Z)-[(5Z)-5-[[(5Z)-5-[cyclopenta-1,3-dien-1-yl(phenyl)methylidene]pyrrol-2-yl]-phenylmethylidene]pyrrol-2-ylidene]-phenylmethyl]pyrrole is sourced from PubChem (CID 177419643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).