2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran

C78H44O4 — CID 118490746

IUPAC2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5c6ccc(-c7cc(-c8ccc9oc%10ccccc%10c9c8)cc(-c8ccc9oc%10ccccc%10c9c8)c7)cc6c6ccccc6c5c4)c3)cc12
InChIInChI=1S/C78H44O4/c1-2-12-58-57(11-1)65-39-45(51-33-53(47-23-29-75-67(41-47)61-13-3-7-17-71(61)79-75)37-54(34-51)48-24-30-76-68(42-48)62-14-4-8-18-72(62)80-76)21-27-59(65)60-28-22-46(40-66(58)60)52-35-55(49-25-31-77-69(43-49)63-15-5-9-19-73(63)81-77)38-56(36-52)50-26-32-78-70(44-50)64-16-6-10-20-74(64)82-78/h1-44H
InChIKeyNZLFQCUJPBAMMZ-UHFFFAOYSA-N
MW1045.21 g/mol
LogP22.75
Rot. Bonds6

About 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran

2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran (PubChem CID 118490746) has the molecular formula C78H44O4 and a molecular weight of 1045.21 g/mol. Its IUPAC name is 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
PubChem CID118490746
Molecular FormulaC78H44O4
Molecular Weight1045.21 g/mol
Exact Mass1044.32
IUPAC Name2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5c6ccc(-c7cc(-c8ccc9oc%10ccccc%10c9c8)cc(-c8ccc9oc%10ccccc%10c9c8)c7)cc6c6ccccc6c5c4)c3)cc12
InChIInChI=1S/C78H44O4/c1-2-12-58-57(11-1)65-39-45(51-33-53(47-23-29-75-67(41-47)61-13-3-7-17-71(61)79-75)37-54(34-51)48-24-30-76-68(42-48)62-14-4-8-18-72(62)80-76)21-27-59(65)60-28-22-46(40-66(58)60)52-35-55(49-25-31-77-69(43-49)63-15-5-9-19-73(63)81-77)38-56(36-52)50-26-32-78-70(44-50)64-16-6-10-20-74(64)82-78/h1-44H
InChIKeyNZLFQCUJPBAMMZ-UHFFFAOYSA-N
XLogP22.75
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.21
LogP ≤ 522.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 155257341
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-[3-chrysen-6-yl-5-(12-phenylchrysen-6-yl)phenyl]dibenzofuran
CID 58037141
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran (CID 118490746) is 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran is c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5c6ccc(-c7cc(-c8ccc9oc%10ccccc%10c9c8)cc(-c8ccc9oc%10ccccc%10c9c8)c7)cc6c6ccccc6c5c4)c3)cc12.
What is the InChIKey of 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran?
The InChIKey is NZLFQCUJPBAMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H44O4/c1-2-12-58-57(11-1)65-39-45(51-33-53(47-23-29-75-67(41-47)61-13-3-7-17-71(61)79-75)37-54(34-51)48-24-30-76-68(42-48)62-14-4-8-18-72(62)80-76)21-27-59(65)60-28-22-46(40-66(58)60)52-35-55(49-25-31-77-69(43-49)63-15-5-9-19-73(63)81-77)38-56(36-52)50-26-32-78-70(44-50)64-16-6-10-20-74(64)82-78/h1-44H.
What are the key properties of 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran?
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran has a molecular weight of 1045.21 g/mol, XLogP of 22.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran is sourced from PubChem (CID 118490746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).