4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

C88H52O2 — CID 154970869

IUPAC4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9oc%10ccccc%10c89)c8ccccc78)c7ccccc67)c6ccccc56)c5oc6ccccc6c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C88H52O2/c1-2-23-53(24-3-1)54-45-48-72(58-28-7-4-25-55(54)58)84-68-35-14-16-37-70(68)85(71-38-17-15-36-69(71)84)78-52-51-75(88-87(78)77-40-19-21-43-80(77)90-88)62-47-50-74(60-30-9-6-27-57(60)62)83-66-33-12-10-31-64(66)82(65-32-11-13-34-67(65)83)73-49-46-61(56-26-5-8-29-59(56)73)63-41-22-44-81-86(63)76-39-18-20-42-79(76)89-81/h1-52H
InChIKeyZGOOQXMMTHVMEQ-UHFFFAOYSA-N
MW1141.38 g/mol
LogP25.23
Rot. Bonds7

About 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (PubChem CID 154970869) has the molecular formula C88H52O2 and a molecular weight of 1141.38 g/mol. Its IUPAC name is 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
PubChem CID154970869
Molecular FormulaC88H52O2
Molecular Weight1141.38 g/mol
Exact Mass1140.40
IUPAC Name4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9oc%10ccccc%10c89)c8ccccc78)c7ccccc67)c6ccccc56)c5oc6ccccc6c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C88H52O2/c1-2-23-53(24-3-1)54-45-48-72(58-28-7-4-25-55(54)58)84-68-35-14-16-37-70(68)85(71-38-17-15-36-69(71)84)78-52-51-75(88-87(78)77-40-19-21-43-80(77)90-88)62-47-50-74(60-30-9-6-27-57(60)62)83-66-33-12-10-31-64(66)82(65-32-11-13-34-67(65)83)73-49-46-61(56-26-5-8-29-59(56)73)63-41-22-44-81-86(63)76-39-18-20-42-79(76)89-81/h1-52H
InChIKeyZGOOQXMMTHVMEQ-UHFFFAOYSA-N
XLogP25.23
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.38
LogP ≤ 525.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155335016
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 130185376
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
CID 168795933
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149
5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran
CID 176744159

Frequently Asked Questions

What is the IUPAC name of 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (CID 154970869) is 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9oc%10ccccc%10c89)c8ccccc78)c7ccccc67)c6ccccc56)c5oc6ccccc6c45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is ZGOOQXMMTHVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52O2/c1-2-23-53(24-3-1)54-45-48-72(58-28-7-4-25-55(54)58)84-68-35-14-16-37-70(68)85(71-38-17-15-36-69(71)84)78-52-51-75(88-87(78)77-40-19-21-43-80(77)90-88)62-47-50-74(60-30-9-6-27-57(60)62)83-66-33-12-10-31-64(66)82(65-32-11-13-34-67(65)83)73-49-46-61(56-26-5-8-29-59(56)73)63-41-22-44-81-86(63)76-39-18-20-42-79(76)89-81/h1-52H.
What are the key properties of 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 1141.38 g/mol, XLogP of 25.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 154970869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).