2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran

C64H38OSe — CID 158817057

IUPAC2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6ccc7c(c6)[se]c6ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc67)c6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C64H38OSe/c1-3-15-39(16-4-1)41-28-32-57-54(35-41)55-36-42(29-33-58(55)65-57)62-50-23-11-13-25-52(50)64(53-26-14-12-24-51(53)62)44-27-31-45-56-37-43(30-34-59(56)66-60(45)38-44)63-48-21-9-7-19-46(48)61(40-17-5-2-6-18-40)47-20-8-10-22-49(47)63/h1-38H
InChIKeyDZCMZECGOOXEGX-UHFFFAOYSA-N
MW901.97 g/mol
LogP17.90
Rot. Bonds5

About 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran

2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran (PubChem CID 158817057) has the molecular formula C64H38OSe and a molecular weight of 901.97 g/mol. Its IUPAC name is 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
PubChem CID158817057
Molecular FormulaC64H38OSe
Molecular Weight901.97 g/mol
Exact Mass902.21
IUPAC Name2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6ccc7c(c6)[se]c6ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc67)c6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C64H38OSe/c1-3-15-39(16-4-1)41-28-32-57-54(35-41)55-36-42(29-33-58(55)65-57)62-50-23-11-13-25-52(50)64(53-26-14-12-24-51(53)62)44-27-31-45-56-37-43(30-34-59(56)66-60(45)38-44)63-48-21-9-7-19-46(48)61(40-17-5-2-6-18-40)47-20-8-10-22-49(47)63/h1-38H
InChIKeyDZCMZECGOOXEGX-UHFFFAOYSA-N
XLogP17.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.97
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
2-phenyl-8-[10-[7-[10-(8-phenyldibenzothiophen-2-yl)anthracen-9-yl]dibenzoselenophen-2-yl]anthracen-9-yl]dibenzothiophene
CID 161492275
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]furan
CID 159161973
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran
CID 158658340
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 160746468
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran (CID 158817057) is 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6ccc7c(c6)[se]c6ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc67)c6ccccc56)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
The InChIKey is DZCMZECGOOXEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38OSe/c1-3-15-39(16-4-1)41-28-32-57-54(35-41)55-36-42(29-33-58(55)65-57)62-50-23-11-13-25-52(50)64(53-26-14-12-24-51(53)62)44-27-31-45-56-37-43(30-34-59(56)66-60(45)38-44)63-48-21-9-7-19-46(48)61(40-17-5-2-6-18-40)47-20-8-10-22-49(47)63/h1-38H.
What are the key properties of 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 901.97 g/mol, XLogP of 17.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 158817057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).