2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene

C44H30 — CID 58472030

IUPAC2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccccc2)cc1
InChIInChI=1S/C44H30/c1-4-15-31(16-5-1)43(32-17-6-2-7-18-32)44(33-19-8-3-9-20-33)36-22-14-21-34(29-36)35-27-28-41-39-25-11-10-23-37(39)38-24-12-13-26-40(38)42(41)30-35/h1-30H
InChIKeyBUHNXIBMJSQRRC-UHFFFAOYSA-N
MW558.72 g/mol
LogP11.82
Rot. Bonds5

About 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene

2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene (PubChem CID 58472030) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene
PubChem CID58472030
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccccc2)cc1
InChIInChI=1S/C44H30/c1-4-15-31(16-5-1)43(32-17-6-2-7-18-32)44(33-19-8-3-9-20-33)36-22-14-21-34(29-36)35-27-28-41-39-25-11-10-23-37(39)38-24-12-13-26-40(38)42(41)30-35/h1-30H
InChIKeyBUHNXIBMJSQRRC-UHFFFAOYSA-N
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine
CID 138548274
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 142555564
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]triphenylene
CID 142607186
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 158189898
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone
CID 159669844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene?
The IUPAC name of 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene (CID 58472030) is 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene.
What is the SMILES notation for 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene?
The canonical SMILES for 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene is c1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccccc2)cc1.
What is the InChIKey of 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene?
The InChIKey is BUHNXIBMJSQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-4-15-31(16-5-1)43(32-17-6-2-7-18-32)44(33-19-8-3-9-20-33)36-22-14-21-34(29-36)35-27-28-41-39-25-11-10-23-37(39)38-24-12-13-26-40(38)42(41)30-35/h1-30H.
What are the key properties of 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene?
2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene has a molecular weight of 558.72 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene is sourced from PubChem (CID 58472030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).