4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran

C44H28O2 — CID 144568493

IUPAC4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
SMILESCc1cc2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc3c2cc1C
InChIInChI=1S/C44H28O2/c1-25-21-37-31-19-17-27(29-11-7-13-35-33-9-3-5-15-41(33)45-43(29)35)23-39(31)40-24-28(18-20-32(40)38(37)22-26(25)2)30-12-8-14-36-34-10-4-6-16-42(34)46-44(30)36/h3-24H,1-2H3
InChIKeyOAUWVYOREWZOAD-UHFFFAOYSA-N
MW588.71 g/mol
LogP12.90
Rot. Bonds2

About 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran

4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran (PubChem CID 144568493) has the molecular formula C44H28O2 and a molecular weight of 588.71 g/mol. Its IUPAC name is 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran.

Molecular Properties

Compound Name4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
PubChem CID144568493
Molecular FormulaC44H28O2
Molecular Weight588.71 g/mol
Exact Mass588.21
IUPAC Name4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
SMILESCc1cc2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc3c2cc1C
InChIInChI=1S/C44H28O2/c1-25-21-37-31-19-17-27(29-11-7-13-35-33-9-3-5-15-41(33)45-43(29)35)23-39(31)40-24-28(18-20-32(40)38(37)22-26(25)2)30-12-8-14-36-34-10-4-6-16-42(34)46-44(30)36/h3-24H,1-2H3
InChIKeyOAUWVYOREWZOAD-UHFFFAOYSA-N
XLogP12.90
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163474399
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-(3-dibenzofuran-2-yltetraphenylen-1-yl)dibenzofuran;2-(4-dibenzofuran-4-yltetraphenylen-2-yl)dibenzofuran;methane;2-(4-triphenylen-2-yltetraphenylen-2-yl)dibenzofuran
CID 157312944
19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428489

Frequently Asked Questions

What is the IUPAC name of 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran?
The IUPAC name of 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran (CID 144568493) is 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran.
What is the SMILES notation for 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran?
The canonical SMILES for 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran is Cc1cc2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc3c2cc1C.
What is the InChIKey of 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran?
The InChIKey is OAUWVYOREWZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O2/c1-25-21-37-31-19-17-27(29-11-7-13-35-33-9-3-5-15-41(33)45-43(29)35)23-39(31)40-24-28(18-20-32(40)38(37)22-26(25)2)30-12-8-14-36-34-10-4-6-16-42(34)46-44(30)36/h3-24H,1-2H3.
What are the key properties of 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran?
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran has a molecular weight of 588.71 g/mol, XLogP of 12.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran is sourced from PubChem (CID 144568493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).