3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene

C53H34 — CID 143808881

IUPAC3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene
SMILESC=C1/C(=C\C=C/C)c2ccc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c5)cc4c3)c3cccc1c23
InChIInChI=1S/C53H34/c1-3-4-9-41-32(2)42-12-7-13-47-43(24-26-50(41)52(42)47)37-22-18-33-16-20-35(28-39(33)30-37)36-21-17-34-19-23-38(31-40(34)29-36)44-25-27-51-46-11-6-5-10-45(46)49-15-8-14-48(44)53(49)51/h3-31H,2H2,1H3/b4-3-,41-9+
InChIKeyNOPOUFHKHDKTGA-KZZVDDIOSA-N
MW670.86 g/mol
LogP14.93
Rot. Bonds4

About 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene

3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene (PubChem CID 143808881) has the molecular formula C53H34 and a molecular weight of 670.86 g/mol. Its IUPAC name is 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene.

Molecular Properties

Compound Name3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene
PubChem CID143808881
Molecular FormulaC53H34
Molecular Weight670.86 g/mol
Exact Mass670.27
IUPAC Name3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene
SMILESC=C1/C(=C\C=C/C)c2ccc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c5)cc4c3)c3cccc1c23
InChIInChI=1S/C53H34/c1-3-4-9-41-32(2)42-12-7-13-47-43(24-26-50(41)52(42)47)37-22-18-33-16-20-35(28-39(33)30-37)36-21-17-34-19-23-38(31-40(34)29-36)44-25-27-51-46-11-6-5-10-45(46)49-15-8-14-48(44)53(49)51/h3-31H,2H2,1H3/b4-3-,41-9+
InChIKeyNOPOUFHKHDKTGA-KZZVDDIOSA-N
XLogP14.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615

Frequently Asked Questions

What is the IUPAC name of 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
The IUPAC name of 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene (CID 143808881) is 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene.
What is the SMILES notation for 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
The canonical SMILES for 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene is C=C1/C(=C\C=C/C)c2ccc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c5)cc4c3)c3cccc1c23.
What is the InChIKey of 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
The InChIKey is NOPOUFHKHDKTGA-KZZVDDIOSA-N. The full InChI is InChI=1S/C53H34/c1-3-4-9-41-32(2)42-12-7-13-47-43(24-26-50(41)52(42)47)37-22-18-33-16-20-35(28-39(33)30-37)36-21-17-34-19-23-38(31-40(34)29-36)44-25-27-51-46-11-6-5-10-45(46)49-15-8-14-48(44)53(49)51/h3-31H,2H2,1H3/b4-3-,41-9+.
What are the key properties of 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene has a molecular weight of 670.86 g/mol, XLogP of 14.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene is sourced from PubChem (CID 143808881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).