7-triphenylen-2-ylbenzo[b][1,10]phenanthroline

C34H20N2 — CID 139446092

IUPAC7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3nc12
InChIInChI=1S/C34H20N2/c1-2-11-25-23(9-1)24-10-3-4-12-26(24)30-20-22(16-17-27(25)30)32-28-13-5-6-14-31(28)36-34-29(32)18-15-21-8-7-19-35-33(21)34/h1-20H
InChIKeyXXDLYKKOOSWLQX-UHFFFAOYSA-N
MW456.55 g/mol
LogP9.06
Rot. Bonds1

About 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline

7-triphenylen-2-ylbenzo[b][1,10]phenanthroline (PubChem CID 139446092) has the molecular formula C34H20N2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
PubChem CID139446092
Molecular FormulaC34H20N2
Molecular Weight456.55 g/mol
Exact Mass456.16
IUPAC Name7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3nc12
InChIInChI=1S/C34H20N2/c1-2-11-25-23(9-1)24-10-3-4-12-26(24)30-20-22(16-17-27(25)30)32-28-13-5-6-14-31(28)36-34-29(32)18-15-21-8-7-19-35-33(21)34/h1-20H
InChIKeyXXDLYKKOOSWLQX-UHFFFAOYSA-N
XLogP9.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 59.06
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'}

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Related Compounds

2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
7-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559203
7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline
CID 160986724
N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline
CID 159098658
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline
CID 158503228
7-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139446085
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330

Frequently Asked Questions

What is the IUPAC name of 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline?
The IUPAC name of 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline (CID 139446092) is 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline is c1cnc2c(c1)ccc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3nc12.
What is the InChIKey of 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline?
The InChIKey is XXDLYKKOOSWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2/c1-2-11-25-23(9-1)24-10-3-4-12-26(24)30-20-22(16-17-27(25)30)32-28-13-5-6-14-31(28)36-34-29(32)18-15-21-8-7-19-35-33(21)34/h1-20H.
What are the key properties of 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline?
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline has a molecular weight of 456.55 g/mol, XLogP of 9.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triphenylen-2-ylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 139446092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).