1,2,4-triphenyltriphenylene

C36H24 — CID 58820754

IUPAC1,2,4-triphenyltriphenylene
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C36H24/c1-4-14-25(15-5-1)32-24-33(26-16-6-2-7-17-26)35-30-22-12-10-20-28(30)29-21-11-13-23-31(29)36(35)34(32)27-18-8-3-9-19-27/h1-24H
InChIKeyKRWZADNAASTKCG-UHFFFAOYSA-N
MW456.59 g/mol
LogP10.15
Rot. Bonds3

About 1,2,4-triphenyltriphenylene

1,2,4-triphenyltriphenylene (PubChem CID 58820754) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1,2,4-triphenyltriphenylene.

Molecular Properties

Compound Name1,2,4-triphenyltriphenylene
PubChem CID58820754
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name1,2,4-triphenyltriphenylene
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C36H24/c1-4-14-25(15-5-1)32-24-33(26-16-6-2-7-17-26)35-30-22-12-10-20-28(30)29-21-11-13-23-31(29)36(35)34(32)27-18-8-3-9-19-27/h1-24H
InChIKeyKRWZADNAASTKCG-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(1,4-diphenyltriphenylen-2-yl)phenyl]-1,4-diphenyltriphenylene
CID 123450993
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene
CID 123758696
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
4-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308329
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triphenyltriphenylene?
The IUPAC name of 1,2,4-triphenyltriphenylene (CID 58820754) is 1,2,4-triphenyltriphenylene.
What is the SMILES notation for 1,2,4-triphenyltriphenylene?
The canonical SMILES for 1,2,4-triphenyltriphenylene is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2,4-triphenyltriphenylene?
The InChIKey is KRWZADNAASTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-4-14-25(15-5-1)32-24-33(26-16-6-2-7-17-26)35-30-22-12-10-20-28(30)29-21-11-13-23-31(29)36(35)34(32)27-18-8-3-9-19-27/h1-24H.
What are the key properties of 1,2,4-triphenyltriphenylene?
1,2,4-triphenyltriphenylene has a molecular weight of 456.59 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triphenyltriphenylene is sourced from PubChem (CID 58820754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).