6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene

C54H52N2 — CID 142551627

IUPAC6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.C=Cc1c(/C=C(\C)n2c3ccccc3c3c4c(/C=C\C=C/C)cn(-c5cccc(C)c5)c4ccc32)c(/C=C\C=C/C)c(C)c2ccccc12
InChIInChI=1S/C47H42N2.C7H10/c1-7-10-12-20-35-31-48(36-21-18-19-32(4)29-36)44-27-28-45-47(46(35)44)41-25-16-17-26-43(41)49(45)33(5)30-42-37(9-3)40-24-15-14-23-38(40)34(6)39(42)22-13-11-8-2;1-3-5-7-6-4-2/h7-31H,3H2,1-2,4-6H3;3-7H,1H2,2H3/b10-7-,11-8-,20-12-,22-13-,33-30+;6-4-,7-5-
InChIKeyDJEYEKPLTDFDBU-VNTHHMROSA-N
MW729.02 g/mol
LogP15.65
Rot. Bonds10

About 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene

6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene (PubChem CID 142551627) has the molecular formula C54H52N2 and a molecular weight of 729.02 g/mol. Its IUPAC name is 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene.

Molecular Properties

Compound Name6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene
PubChem CID142551627
Molecular FormulaC54H52N2
Molecular Weight729.02 g/mol
Exact Mass728.41
IUPAC Name6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.C=Cc1c(/C=C(\C)n2c3ccccc3c3c4c(/C=C\C=C/C)cn(-c5cccc(C)c5)c4ccc32)c(/C=C\C=C/C)c(C)c2ccccc12
InChIInChI=1S/C47H42N2.C7H10/c1-7-10-12-20-35-31-48(36-21-18-19-32(4)29-36)44-27-28-45-47(46(35)44)41-25-16-17-26-43(41)49(45)33(5)30-42-37(9-3)40-24-15-14-23-38(40)34(6)39(42)22-13-11-8-2;1-3-5-7-6-4-2/h7-31H,3H2,1-2,4-6H3;3-7H,1H2,2H3/b10-7-,11-8-,20-12-,22-13-,33-30+;6-4-,7-5-
InChIKeyDJEYEKPLTDFDBU-VNTHHMROSA-N
XLogP15.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.02
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
The IUPAC name of 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene (CID 142551627) is 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene.
What is the SMILES notation for 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
The canonical SMILES for 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene is C=C/C=C\C=C/C.C=Cc1c(/C=C(\C)n2c3ccccc3c3c4c(/C=C\C=C/C)cn(-c5cccc(C)c5)c4ccc32)c(/C=C\C=C/C)c(C)c2ccccc12.
What is the InChIKey of 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
The InChIKey is DJEYEKPLTDFDBU-VNTHHMROSA-N. The full InChI is InChI=1S/C47H42N2.C7H10/c1-7-10-12-20-35-31-48(36-21-18-19-32(4)29-36)44-27-28-45-47(46(35)44)41-25-16-17-26-43(41)49(45)33(5)30-42-37(9-3)40-24-15-14-23-38(40)34(6)39(42)22-13-11-8-2;1-3-5-7-6-4-2/h7-31H,3H2,1-2,4-6H3;3-7H,1H2,2H3/b10-7-,11-8-,20-12-,22-13-,33-30+;6-4-,7-5-.
What are the key properties of 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene has a molecular weight of 729.02 g/mol, XLogP of 15.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-[1-ethenyl-4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-2-yl]prop-1-en-2-yl]-3-(3-methylphenyl)-1-[(1Z,3Z)-penta-1,3-dienyl]pyrrolo[2,3-c]carbazole;(3Z,5Z)-hepta-1,3,5-triene is sourced from PubChem (CID 142551627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).