(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene

C30H20 — CID 11315014

IUPAC(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
SMILESC1=C(c2ccccc2)c2ccccc2/C1=C1\C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H20/c1-3-11-21(12-4-1)27-19-29(25-17-9-7-15-23(25)27)30-20-28(22-13-5-2-6-14-22)24-16-8-10-18-26(24)30/h1-20H/b30-29+
InChIKeyWSOWDPKKMCVAJW-QVIHXGFCSA-N
MW380.49 g/mol
LogP7.49
Rot. Bonds2

About (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene

(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene (PubChem CID 11315014) has the molecular formula C30H20 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene.

Molecular Properties

Compound Name(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
PubChem CID11315014
Molecular FormulaC30H20
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
SMILESC1=C(c2ccccc2)c2ccccc2/C1=C1\C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H20/c1-3-11-21(12-4-1)27-19-29(25-17-9-7-15-23(25)27)30-20-28(22-13-5-2-6-14-22)24-16-8-10-18-26(24)30/h1-20H/b30-29+
InChIKeyWSOWDPKKMCVAJW-QVIHXGFCSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylinden-1-ylidene)propanedinitrile
CID 102364192
1-phenylacenaphthylene
CID 13119282
dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)
CID 139094416
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
(1Z)-1-(2,2-dimethyl-1-phenylpropylidene)-3-phenylindene
CID 5378956
(1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene
CID 138967575
2-phenylinden-1-one
CID 10878305
phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
CID 171483675
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
benzene;tris(1,1'-biphenyl)
CID 162155747
1-hydroxy-4-phenyl-1H-naphthalen-2-one
CID 146600590
1-methyl-2-methylidene-4-phenylquinoline
CID 14963015

Frequently Asked Questions

What is the IUPAC name of (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene?
The IUPAC name of (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene (CID 11315014) is (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene.
What is the SMILES notation for (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene?
The canonical SMILES for (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene is C1=C(c2ccccc2)c2ccccc2/C1=C1\C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene?
The InChIKey is WSOWDPKKMCVAJW-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H20/c1-3-11-21(12-4-1)27-19-29(25-17-9-7-15-23(25)27)30-20-28(22-13-5-2-6-14-22)24-16-8-10-18-26(24)30/h1-20H/b30-29+.
What are the key properties of (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene?
(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene has a molecular weight of 380.49 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene is sourced from PubChem (CID 11315014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).