2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline

C38H24N2 — CID 129174143

IUPAC2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline
SMILESC(=C/c1ccc2ccc3cccnc3c2n1)\c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C38H24N2/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-24-29(19-22-35(33)36)26-14-11-25(12-15-26)13-20-30-21-18-28-17-16-27-6-5-23-39-37(27)38(28)40-30/h1-24H/b20-13+
InChIKeyURJNZKMUAZSLGO-DEDYPNTBSA-N
MW508.62 g/mol
LogP10.08
Rot. Bonds3

About 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline

2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline (PubChem CID 129174143) has the molecular formula C38H24N2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline
PubChem CID129174143
Molecular FormulaC38H24N2
Molecular Weight508.62 g/mol
Exact Mass508.19
IUPAC Name2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline
SMILESC(=C/c1ccc2ccc3cccnc3c2n1)\c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C38H24N2/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-24-29(19-22-35(33)36)26-14-11-25(12-15-26)13-20-30-21-18-28-17-16-27-6-5-23-39-37(27)38(28)40-30/h1-24H/b20-13+
InChIKeyURJNZKMUAZSLGO-DEDYPNTBSA-N
XLogP10.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(9,10-diphenylanthracen-2-yl)ethenyl]-1,10-phenanthroline
CID 91352751
2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
CID 129172574
2-[4-[7-(2-triphenylen-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780738
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
CID 121368463
21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146230905
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
2-[4-(2-phenyl-6-triphenylen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 168823379
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline?
The IUPAC name of 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline (CID 129174143) is 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline is C(=C/c1ccc2ccc3cccnc3c2n1)\c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline?
The InChIKey is URJNZKMUAZSLGO-DEDYPNTBSA-N. The full InChI is InChI=1S/C38H24N2/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-24-29(19-22-35(33)36)26-14-11-25(12-15-26)13-20-30-21-18-28-17-16-27-6-5-23-39-37(27)38(28)40-30/h1-24H/b20-13+.
What are the key properties of 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline?
2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline has a molecular weight of 508.62 g/mol, XLogP of 10.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline is sourced from PubChem (CID 129174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).