2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline

C40H26N2 — CID 91352751

IUPAC2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline
SMILESC(=Cc1ccc2ccc3cccnc3c2n1)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C40H26N2/c1-3-10-28(11-4-1)37-33-15-7-8-16-34(33)38(29-12-5-2-6-13-29)36-26-27(18-24-35(36)37)17-22-32-23-21-31-20-19-30-14-9-25-41-39(30)40(31)42-32/h1-26H
InChIKeyNDDURVHEGCHKLQ-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.59
Rot. Bonds4

About 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline

2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline (PubChem CID 91352751) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline
PubChem CID91352751
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline
SMILESC(=Cc1ccc2ccc3cccnc3c2n1)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C40H26N2/c1-3-10-28(11-4-1)37-33-15-7-8-16-34(33)38(29-12-5-2-6-13-29)36-26-27(18-24-35(36)37)17-22-32-23-21-31-20-19-30-14-9-25-41-39(30)40(31)42-32/h1-26H
InChIKeyNDDURVHEGCHKLQ-UHFFFAOYSA-N
XLogP10.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline 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-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline
CID 129174143
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
CID 176639413
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-5-yl)phenyl]-1,10-phenanthroline
CID 58340500
2-[12-(7,12-diphenylbenzo[k]fluoranthen-3-yl)chrysen-6-yl]-1,10-phenanthroline
CID 88865374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline?
The IUPAC name of 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline (CID 91352751) is 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline is C(=Cc1ccc2ccc3cccnc3c2n1)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline?
The InChIKey is NDDURVHEGCHKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-3-10-28(11-4-1)37-33-15-7-8-16-34(33)38(29-12-5-2-6-13-29)36-26-27(18-24-35(36)37)17-22-32-23-21-31-20-19-30-14-9-25-41-39(30)40(31)42-32/h1-26H.
What are the key properties of 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline?
2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline has a molecular weight of 534.66 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline is sourced from PubChem (CID 91352751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).