1-propan-2-yl-7-triphenylen-2-yldibenzofuran

C33H24O — CID 164787333

IUPAC1-propan-2-yl-7-triphenylen-2-yldibenzofuran
SMILESCC(C)c1cccc2oc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c12
InChIInChI=1S/C33H24O/c1-20(2)23-12-7-13-31-33(23)29-17-15-22(19-32(29)34-31)21-14-16-28-26-10-4-3-8-24(26)25-9-5-6-11-27(25)30(28)18-21/h3-20H,1-2H3
InChIKeyINWIVQMUGVNJQT-UHFFFAOYSA-N
MW436.55 g/mol
LogP9.84
Rot. Bonds2

About 1-propan-2-yl-7-triphenylen-2-yldibenzofuran

1-propan-2-yl-7-triphenylen-2-yldibenzofuran (PubChem CID 164787333) has the molecular formula C33H24O and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-propan-2-yl-7-triphenylen-2-yldibenzofuran.

Molecular Properties

Compound Name1-propan-2-yl-7-triphenylen-2-yldibenzofuran
PubChem CID164787333
Molecular FormulaC33H24O
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name1-propan-2-yl-7-triphenylen-2-yldibenzofuran
SMILESCC(C)c1cccc2oc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c12
InChIInChI=1S/C33H24O/c1-20(2)23-12-7-13-31-33(23)29-17-15-22(19-32(29)34-31)21-14-16-28-26-10-4-3-8-24(26)25-9-5-6-11-27(25)30(28)18-21/h3-20H,1-2H3
InChIKeyINWIVQMUGVNJQT-UHFFFAOYSA-N
XLogP9.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 59.84
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

ethane;1-propan-2-yldibenzofuran
CID 142343182
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
CID 158759484
18-phenyl-5-(3-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933535
2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran
CID 165014569
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806
2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene
CID 144670808
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
3-(3-methylphenyl)dibenzofuran
CID 70924364
5-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159714513

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7-triphenylen-2-yldibenzofuran?
The IUPAC name of 1-propan-2-yl-7-triphenylen-2-yldibenzofuran (CID 164787333) is 1-propan-2-yl-7-triphenylen-2-yldibenzofuran.
What is the SMILES notation for 1-propan-2-yl-7-triphenylen-2-yldibenzofuran?
The canonical SMILES for 1-propan-2-yl-7-triphenylen-2-yldibenzofuran is CC(C)c1cccc2oc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c12.
What is the InChIKey of 1-propan-2-yl-7-triphenylen-2-yldibenzofuran?
The InChIKey is INWIVQMUGVNJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O/c1-20(2)23-12-7-13-31-33(23)29-17-15-22(19-32(29)34-31)21-14-16-28-26-10-4-3-8-24(26)25-9-5-6-11-27(25)30(28)18-21/h3-20H,1-2H3.
What are the key properties of 1-propan-2-yl-7-triphenylen-2-yldibenzofuran?
1-propan-2-yl-7-triphenylen-2-yldibenzofuran has a molecular weight of 436.55 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-7-triphenylen-2-yldibenzofuran is sourced from PubChem (CID 164787333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).