9-benzylidene-2,7-dinaphthalen-1-ylfluorene

C40H26 — CID 141308479

IUPAC9-benzylidene-2,7-dinaphthalen-1-ylfluorene
SMILESC(=C1c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21)c1ccccc1
InChIInChI=1S/C40H26/c1-2-10-27(11-3-1)24-38-39-25-30(34-18-8-14-28-12-4-6-16-32(28)34)20-22-36(39)37-23-21-31(26-40(37)38)35-19-9-15-29-13-5-7-17-33(29)35/h1-26H
InChIKeyYNIGYXSZUMRQIV-UHFFFAOYSA-N
MW506.65 g/mol
LogP10.90
Rot. Bonds3

About 9-benzylidene-2,7-dinaphthalen-1-ylfluorene

9-benzylidene-2,7-dinaphthalen-1-ylfluorene (PubChem CID 141308479) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 9-benzylidene-2,7-dinaphthalen-1-ylfluorene.

Molecular Properties

Compound Name9-benzylidene-2,7-dinaphthalen-1-ylfluorene
PubChem CID141308479
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name9-benzylidene-2,7-dinaphthalen-1-ylfluorene
SMILESC(=C1c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21)c1ccccc1
InChIInChI=1S/C40H26/c1-2-10-27(11-3-1)24-38-39-25-30(34-18-8-14-28-12-4-6-16-32(28)34)20-22-36(39)37-23-21-31(26-40(37)38)35-19-9-15-29-13-5-7-17-33(29)35/h1-26H
InChIKeyYNIGYXSZUMRQIV-UHFFFAOYSA-N
XLogP10.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-benzylidene-2,7-dinaphthalen-1-ylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dinaphthalen-1-ylfluoren-9-one
CID 146504296
1-[3-(2-phenylethenyl)phenyl]naphthalene
CID 72533477
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
1-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 74006503
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
2-naphthalen-1-ylanthracene
CID 2748705

Frequently Asked Questions

What is the IUPAC name of 9-benzylidene-2,7-dinaphthalen-1-ylfluorene?
The IUPAC name of 9-benzylidene-2,7-dinaphthalen-1-ylfluorene (CID 141308479) is 9-benzylidene-2,7-dinaphthalen-1-ylfluorene.
What is the SMILES notation for 9-benzylidene-2,7-dinaphthalen-1-ylfluorene?
The canonical SMILES for 9-benzylidene-2,7-dinaphthalen-1-ylfluorene is C(=C1c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21)c1ccccc1.
What is the InChIKey of 9-benzylidene-2,7-dinaphthalen-1-ylfluorene?
The InChIKey is YNIGYXSZUMRQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-10-27(11-3-1)24-38-39-25-30(34-18-8-14-28-12-4-6-16-32(28)34)20-22-36(39)37-23-21-31(26-40(37)38)35-19-9-15-29-13-5-7-17-33(29)35/h1-26H.
What are the key properties of 9-benzylidene-2,7-dinaphthalen-1-ylfluorene?
9-benzylidene-2,7-dinaphthalen-1-ylfluorene has a molecular weight of 506.65 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzylidene-2,7-dinaphthalen-1-ylfluorene is sourced from PubChem (CID 141308479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).