9,10-diphenylanthracene;ethane;prop-1-ene

C31H30 — CID 90840257

IUPAC9,10-diphenylanthracene;ethane;prop-1-ene
SMILESC=CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H18.C3H6.C2H6/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-3-2;1-2/h1-18H;3H,1H2,2H3;1-2H3
InChIKeyFVLAMUGDLCTVML-UHFFFAOYSA-N
MW402.58 g/mol
LogP9.55
Rot. Bonds2

About 9,10-diphenylanthracene;ethane;prop-1-ene

9,10-diphenylanthracene;ethane;prop-1-ene (PubChem CID 90840257) has the molecular formula C31H30 and a molecular weight of 402.58 g/mol. Its IUPAC name is 9,10-diphenylanthracene;ethane;prop-1-ene.

Molecular Properties

Compound Name9,10-diphenylanthracene;ethane;prop-1-ene
PubChem CID90840257
Molecular FormulaC31H30
Molecular Weight402.58 g/mol
Exact Mass402.23
IUPAC Name9,10-diphenylanthracene;ethane;prop-1-ene
SMILESC=CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H18.C3H6.C2H6/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-3-2;1-2/h1-18H;3H,1H2,2H3;1-2H3
InChIKeyFVLAMUGDLCTVML-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-diphenylanthracene;ethane;prop-1-ene?
The IUPAC name of 9,10-diphenylanthracene;ethane;prop-1-ene (CID 90840257) is 9,10-diphenylanthracene;ethane;prop-1-ene.
What is the SMILES notation for 9,10-diphenylanthracene;ethane;prop-1-ene?
The canonical SMILES for 9,10-diphenylanthracene;ethane;prop-1-ene is C=CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-diphenylanthracene;ethane;prop-1-ene?
The InChIKey is FVLAMUGDLCTVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C3H6.C2H6/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-3-2;1-2/h1-18H;3H,1H2,2H3;1-2H3.
What are the key properties of 9,10-diphenylanthracene;ethane;prop-1-ene?
9,10-diphenylanthracene;ethane;prop-1-ene has a molecular weight of 402.58 g/mol, XLogP of 9.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diphenylanthracene;ethane;prop-1-ene is sourced from PubChem (CID 90840257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).