2-(1,2-diphenyl-3H-inden-4-yl)triphenylene

C39H26 — CID 59489309

IUPAC2-(1,2-diphenyl-3H-inden-4-yl)triphenylene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3C2)cc1
InChIInChI=1S/C39H26/c1-3-12-26(13-4-1)36-25-38-29(20-11-21-35(38)39(36)27-14-5-2-6-15-27)28-22-23-34-32-18-8-7-16-30(32)31-17-9-10-19-33(31)37(34)24-28/h1-24H,25H2
InChIKeyHMVFMIGVJXULCB-UHFFFAOYSA-N
MW494.64 g/mol
LogP10.33
Rot. Bonds3

About 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene

2-(1,2-diphenyl-3H-inden-4-yl)triphenylene (PubChem CID 59489309) has the molecular formula C39H26 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene.

Molecular Properties

Compound Name2-(1,2-diphenyl-3H-inden-4-yl)triphenylene
PubChem CID59489309
Molecular FormulaC39H26
Molecular Weight494.64 g/mol
Exact Mass494.20
IUPAC Name2-(1,2-diphenyl-3H-inden-4-yl)triphenylene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3C2)cc1
InChIInChI=1S/C39H26/c1-3-12-26(13-4-1)36-25-38-29(20-11-21-35(38)39(36)27-14-5-2-6-15-27)28-22-23-34-32-18-8-7-16-30(32)31-17-9-10-19-33(31)37(34)24-28/h1-24H,25H2
InChIKeyHMVFMIGVJXULCB-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 510.33
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

18-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene
CID 58489376
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 58489419
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
CID 157108614
4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
CID 122487401
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
2-[3-[8-[4-(1-deuteriocyclohexyl)phenyl]-9H-fluoren-1-yl]phenyl]triphenylene
CID 157304937
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene?
The IUPAC name of 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene (CID 59489309) is 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene.
What is the SMILES notation for 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene?
The canonical SMILES for 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene is c1ccc(C2=C(c3ccccc3)c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3C2)cc1.
What is the InChIKey of 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene?
The InChIKey is HMVFMIGVJXULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26/c1-3-12-26(13-4-1)36-25-38-29(20-11-21-35(38)39(36)27-14-5-2-6-15-27)28-22-23-34-32-18-8-7-16-30(32)31-17-9-10-19-33(31)37(34)24-28/h1-24H,25H2.
What are the key properties of 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene?
2-(1,2-diphenyl-3H-inden-4-yl)triphenylene has a molecular weight of 494.64 g/mol, XLogP of 10.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenyl-3H-inden-4-yl)triphenylene is sourced from PubChem (CID 59489309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).