2-triphenylen-2-yloxytriphenylene

C36H22O — CID 142787718

IUPAC2-triphenylen-2-yloxytriphenylene
SMILESc1ccc2c(c1)c1ccccc1c1cc(Oc3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C36H22O/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)35-21-23(17-19-33(29)35)37-24-18-20-34-30-14-4-2-10-26(30)28-12-6-8-16-32(28)36(34)22-24/h1-22H
InChIKeyVGOBWVDVIUKJIH-UHFFFAOYSA-N
MW470.57 g/mol
LogP10.40
Rot. Bonds2

About 2-triphenylen-2-yloxytriphenylene

2-triphenylen-2-yloxytriphenylene (PubChem CID 142787718) has the molecular formula C36H22O and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-triphenylen-2-yloxytriphenylene.

Molecular Properties

Compound Name2-triphenylen-2-yloxytriphenylene
PubChem CID142787718
Molecular FormulaC36H22O
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name2-triphenylen-2-yloxytriphenylene
SMILESc1ccc2c(c1)c1ccccc1c1cc(Oc3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C36H22O/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)35-21-23(17-19-33(29)35)37-24-18-20-34-30-14-4-2-10-26(30)28-12-6-8-16-32(28)36(34)22-24/h1-22H
InChIKeyVGOBWVDVIUKJIH-UHFFFAOYSA-N
XLogP10.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
CID 163456030
2-(trifluoromethoxy)triphenylene
CID 154001040
5-(4-phenoxyphenyl)rubicene
CID 71421561
triphenylen-2-yl acetate;hydrochloride
CID 142787711
8-phenoxyphenanthridine-6-carbaldehyde
CID 178074620
2-phenoxybenzo[c]chromen-6-one
CID 164686095
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
2-[10-(3a,5,6,7a-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2-[9,10-bis(3a,5,6,7a-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)anthracen-2-yl]oxyanthracen-9-ylidene]-3a,5,6,7a-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiine
CID 10534298
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 59171866
2-naphthalen-2-yloxydibenzothiophene
CID 14642240
nonadecacyclo[38.18.2.02,55.05,54.06,11.012,53.015,52.016,49.019,48.020,25.026,47.029,46.030,43.033,42.034,39.041,58.044,57.045,50.051,56]hexaconta-1,3,5(54),6,8,10,12(53),13,15,17,19(48),20,22,24,26(47),27,29,31,33(42),34,36,38,40,43,45,49,51,55,57,59-triacontaene
CID 58800430

Frequently Asked Questions

What is the IUPAC name of 2-triphenylen-2-yloxytriphenylene?
The IUPAC name of 2-triphenylen-2-yloxytriphenylene (CID 142787718) is 2-triphenylen-2-yloxytriphenylene.
What is the SMILES notation for 2-triphenylen-2-yloxytriphenylene?
The canonical SMILES for 2-triphenylen-2-yloxytriphenylene is c1ccc2c(c1)c1ccccc1c1cc(Oc3ccc4c5ccccc5c5ccccc5c4c3)ccc21.
What is the InChIKey of 2-triphenylen-2-yloxytriphenylene?
The InChIKey is VGOBWVDVIUKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)35-21-23(17-19-33(29)35)37-24-18-20-34-30-14-4-2-10-26(30)28-12-6-8-16-32(28)36(34)22-24/h1-22H.
What are the key properties of 2-triphenylen-2-yloxytriphenylene?
2-triphenylen-2-yloxytriphenylene has a molecular weight of 470.57 g/mol, XLogP of 10.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylen-2-yloxytriphenylene is sourced from PubChem (CID 142787718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).