(2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole

C30H32N2 — CID 11697461

IUPAC(2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole
SMILESCCC1=C(CC)/C(=C/c2ccccc2)N=C1C1=N/C(=C\c2ccccc2)C(CC)=C1CC
InChIInChI=1S/C30H32N2/c1-5-23-25(7-3)29(31-27(23)19-21-15-11-9-12-16-21)30-26(8-4)24(6-2)28(32-30)20-22-17-13-10-14-18-22/h9-20H,5-8H2,1-4H3/b27-19-,28-20-
InChIKeyCHXXGCCQDVWLQJ-RSSRHXQMSA-N
MW420.60 g/mol
LogP8.21
Rot. Bonds7

About (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole

(2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole (PubChem CID 11697461) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole.

Molecular Properties

Compound Name(2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole
PubChem CID11697461
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name(2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole
SMILESCCC1=C(CC)/C(=C/c2ccccc2)N=C1C1=N/C(=C\c2ccccc2)C(CC)=C1CC
InChIInChI=1S/C30H32N2/c1-5-23-25(7-3)29(31-27(23)19-21-15-11-9-12-16-21)30-26(8-4)24(6-2)28(32-30)20-22-17-13-10-14-18-22/h9-20H,5-8H2,1-4H3/b27-19-,28-20-
InChIKeyCHXXGCCQDVWLQJ-RSSRHXQMSA-N
XLogP8.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
The IUPAC name of (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole (CID 11697461) is (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole.
What is the SMILES notation for (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
The canonical SMILES for (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole is CCC1=C(CC)/C(=C/c2ccccc2)N=C1C1=N/C(=C\c2ccccc2)C(CC)=C1CC.
What is the InChIKey of (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
The InChIKey is CHXXGCCQDVWLQJ-RSSRHXQMSA-N. The full InChI is InChI=1S/C30H32N2/c1-5-23-25(7-3)29(31-27(23)19-21-15-11-9-12-16-21)30-26(8-4)24(6-2)28(32-30)20-22-17-13-10-14-18-22/h9-20H,5-8H2,1-4H3/b27-19-,28-20-.
What are the key properties of (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
(2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole has a molecular weight of 420.60 g/mol, XLogP of 8.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-5-[(5Z)-5-benzylidene-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole is sourced from PubChem (CID 11697461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).