1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline

C34H23N3 — CID 155601774

IUPAC1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline
SMILESC(\c1cccc(-c2nccc3ccccc23)c1)=c1\[nH]/c(=C\c2nccc3ccccc23)c2ccccc12
InChIInChI=1S/C34H23N3/c1-3-12-27-24(9-1)16-18-35-31(27)22-33-30-15-6-5-14-29(30)32(37-33)21-23-8-7-11-26(20-23)34-28-13-4-2-10-25(28)17-19-36-34/h1-22,37H/b32-21-,33-22-
InChIKeyZFBNLULAKQKVNV-PVZQIEDDSA-N
MW473.58 g/mol
LogP6.59
Rot. Bonds3

About 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline

1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline (PubChem CID 155601774) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline.

Molecular Properties

Compound Name1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline
PubChem CID155601774
Molecular FormulaC34H23N3
Molecular Weight473.58 g/mol
Exact Mass473.19
IUPAC Name1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline
SMILESC(\c1cccc(-c2nccc3ccccc23)c1)=c1\[nH]/c(=C\c2nccc3ccccc23)c2ccccc12
InChIInChI=1S/C34H23N3/c1-3-12-27-24(9-1)16-18-35-31(27)22-33-30-15-6-5-14-29(30)32(37-33)21-23-8-7-11-26(20-23)34-28-13-4-2-10-25(28)17-19-36-34/h1-22,37H/b32-21-,33-22-
InChIKeyZFBNLULAKQKVNV-PVZQIEDDSA-N
XLogP6.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline with MolForge

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Related Compounds

(1Z,3Z)-3-(isoquinolin-1-ylmethylidene)-1-[(3-isoquinolin-3-ylphenyl)methylidene]benzo[e]isoindole
CID 155601778
1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline
CID 155601731
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-[3-[8-(3-isoquinolin-1-ylphenyl)octyl]phenyl]isoquinoline
CID 140678792
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440
CID 58652174
CID 58652174
1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
1-chloroisoquinoline;1-(3-methoxyphenyl)isoquinoline
CID 175032072
9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
CID 22917034
CID 22917034

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline?
The IUPAC name of 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline (CID 155601774) is 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline.
What is the SMILES notation for 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline?
The canonical SMILES for 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline is C(\c1cccc(-c2nccc3ccccc23)c1)=c1\[nH]/c(=C\c2nccc3ccccc23)c2ccccc12.
What is the InChIKey of 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline?
The InChIKey is ZFBNLULAKQKVNV-PVZQIEDDSA-N. The full InChI is InChI=1S/C34H23N3/c1-3-12-27-24(9-1)16-18-35-31(27)22-33-30-15-6-5-14-29(30)32(37-33)21-23-8-7-11-26(20-23)34-28-13-4-2-10-25(28)17-19-36-34/h1-22,37H/b32-21-,33-22-.
What are the key properties of 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline?
1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline has a molecular weight of 473.58 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline is sourced from PubChem (CID 155601774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).