9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene

C34H22 — CID 59629281

IUPAC9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene
SMILESC(#Cc1ccccc1-c1ccccc1)c1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C34H22/c1-2-10-26(11-3-1)30-14-6-4-12-27(30)21-18-25-19-22-28(23-20-25)34-24-29-13-5-7-15-31(29)32-16-8-9-17-33(32)34/h1-17,19-20,22-24H
InChIKeyUUCOYFPEBIGJQW-UHFFFAOYSA-N
MW430.55 g/mol
LogP8.73
Rot. Bonds2

About 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene

9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene (PubChem CID 59629281) has the molecular formula C34H22 and a molecular weight of 430.55 g/mol. Its IUPAC name is 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene
PubChem CID59629281
Molecular FormulaC34H22
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene
SMILESC(#Cc1ccccc1-c1ccccc1)c1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C34H22/c1-2-10-26(11-3-1)30-14-6-4-12-27(30)21-18-25-19-22-28(23-20-25)34-24-29-13-5-7-15-31(29)32-16-8-9-17-33(32)34/h1-17,19-20,22-24H
InChIKeyUUCOYFPEBIGJQW-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenanthren-9-ylbenzonitrile
CID 89027020
9-(2-phenylethynyl)phenanthrene
CID 71412367
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
2-phenyl-1-[2-[2-(2-phenylethynyl)phenyl]phenyl]cyclobuta[l]phenanthrene
CID 134956115
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(4-iodophenyl)phenanthrene
CID 89083753
6-[4-phenyl-7-[4-(2-phenylethynyl)naphthalen-2-yl]naphthalen-2-yl]naphthalene-1-carbonitrile
CID 170210755
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene?
The IUPAC name of 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene (CID 59629281) is 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene.
What is the SMILES notation for 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene?
The canonical SMILES for 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene is C(#Cc1ccccc1-c1ccccc1)c1ccc(-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene?
The InChIKey is UUCOYFPEBIGJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22/c1-2-10-26(11-3-1)30-14-6-4-12-27(30)21-18-25-19-22-28(23-20-25)34-24-29-13-5-7-15-31(29)32-16-8-9-17-33(32)34/h1-17,19-20,22-24H.
What are the key properties of 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene?
9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene has a molecular weight of 430.55 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene is sourced from PubChem (CID 59629281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).