1-(2-phenylanthracen-1-yl)triphenylene

C38H24 — CID 166545008

IUPAC1-(2-phenylanthracen-1-yl)triphenylene
SMILESc1ccc(-c2ccc3cc4ccccc4cc3c2-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C38H24/c1-2-11-25(12-3-1)29-22-21-28-23-26-13-4-5-14-27(26)24-36(28)37(29)35-20-10-19-34-32-16-7-6-15-30(32)31-17-8-9-18-33(31)38(34)35/h1-24H
InChIKeyMVBHYNWVYLPZJJ-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.79
Rot. Bonds2

About 1-(2-phenylanthracen-1-yl)triphenylene

1-(2-phenylanthracen-1-yl)triphenylene (PubChem CID 166545008) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-(2-phenylanthracen-1-yl)triphenylene.

Molecular Properties

Compound Name1-(2-phenylanthracen-1-yl)triphenylene
PubChem CID166545008
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name1-(2-phenylanthracen-1-yl)triphenylene
SMILESc1ccc(-c2ccc3cc4ccccc4cc3c2-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C38H24/c1-2-11-25(12-3-1)29-22-21-28-23-26-13-4-5-14-27(26)24-36(28)37(29)35-20-10-19-34-32-16-7-6-15-30(32)31-17-8-9-18-33(31)38(34)35/h1-24H
InChIKeyMVBHYNWVYLPZJJ-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

12-(2-phenylanthracen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 166544888
1,2-diphenylpentacene
CID 22247158
20-(3-naphthalen-2-ylphenyl)-17-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 166019815
1-(2,3-diphenylphenyl)anthracene
CID 151584978
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
1-(2-phenylanthracen-1-yl)naphtho[1,2-g][1]benzothiole
CID 166544905
9-(5-xanthen-10-ium-9-ylbenzo[h]triphenylen-4-yl)xanthen-10-ium
CID 102332383
3-(2-phenylphenyl)heptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene
CID 59642854
2-phenylanthracen-1-ol
CID 54315343

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylanthracen-1-yl)triphenylene?
The IUPAC name of 1-(2-phenylanthracen-1-yl)triphenylene (CID 166545008) is 1-(2-phenylanthracen-1-yl)triphenylene.
What is the SMILES notation for 1-(2-phenylanthracen-1-yl)triphenylene?
The canonical SMILES for 1-(2-phenylanthracen-1-yl)triphenylene is c1ccc(-c2ccc3cc4ccccc4cc3c2-c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of 1-(2-phenylanthracen-1-yl)triphenylene?
The InChIKey is MVBHYNWVYLPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-2-11-25(12-3-1)29-22-21-28-23-26-13-4-5-14-27(26)24-36(28)37(29)35-20-10-19-34-32-16-7-6-15-30(32)31-17-8-9-18-33(31)38(34)35/h1-24H.
What are the key properties of 1-(2-phenylanthracen-1-yl)triphenylene?
1-(2-phenylanthracen-1-yl)triphenylene has a molecular weight of 480.61 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylanthracen-1-yl)triphenylene is sourced from PubChem (CID 166545008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).