1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran

C76H46O2 — CID 139396293

IUPAC1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccc(-c8cccc9oc%10cccc(-c%11c%12ccccc%12c(-c%12ccccc%12)c%12ccccc%11%12)c%10c89)cc7)ccc56)c4c3c2)cc1
InChIInChI=1S/C76H46O2/c1-4-19-47(20-5-1)53-42-44-66-65(46-53)74-62(32-17-34-67(74)77-66)73-60-30-15-12-27-57(60)71(51-23-8-3-9-24-51)64-45-52(41-43-61(64)73)48-37-39-49(40-38-48)54-31-16-35-68-75(54)76-63(33-18-36-69(76)78-68)72-58-28-13-10-25-55(58)70(50-21-6-2-7-22-50)56-26-11-14-29-59(56)72/h1-46H
InChIKeyYCMSCFGGVFTQIZ-UHFFFAOYSA-N
MW991.20 g/mol
LogP21.77
Rot. Bonds7

About 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran

1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran (PubChem CID 139396293) has the molecular formula C76H46O2 and a molecular weight of 991.20 g/mol. Its IUPAC name is 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
PubChem CID139396293
Molecular FormulaC76H46O2
Molecular Weight991.20 g/mol
Exact Mass990.35
IUPAC Name1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccc(-c8cccc9oc%10cccc(-c%11c%12ccccc%12c(-c%12ccccc%12)c%12ccccc%11%12)c%10c89)cc7)ccc56)c4c3c2)cc1
InChIInChI=1S/C76H46O2/c1-4-19-47(20-5-1)53-42-44-66-65(46-53)74-62(32-17-34-67(74)77-66)73-60-30-15-12-27-57(60)71(51-23-8-3-9-24-51)64-45-52(41-43-61(64)73)48-37-39-49(40-38-48)54-31-16-35-68-75(54)76-63(33-18-36-69(76)78-68)72-58-28-13-10-25-55(58)70(50-21-6-2-7-22-50)56-26-11-14-29-59(56)72/h1-46H
InChIKeyYCMSCFGGVFTQIZ-UHFFFAOYSA-N
XLogP21.77
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.20
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(3,5-diphenylphenyl)-9-(10-phenylanthracen-9-yl)dibenzofuran;7-(2,5-diphenylphenyl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;1-(10-phenylanthracen-9-yl)-8-[4-(4-phenylphenyl)phenyl]dibenzofuran
CID 158423498
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 139396273
8-(2,3,4,5,6-pentadeuteriophenyl)-1-(1,2,3,4-tetradeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 167379006
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132

Frequently Asked Questions

What is the IUPAC name of 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran?
The IUPAC name of 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran (CID 139396293) is 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran.
What is the SMILES notation for 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran?
The canonical SMILES for 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran is c1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccc(-c8cccc9oc%10cccc(-c%11c%12ccccc%12c(-c%12ccccc%12)c%12ccccc%11%12)c%10c89)cc7)ccc56)c4c3c2)cc1.
What is the InChIKey of 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran?
The InChIKey is YCMSCFGGVFTQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46O2/c1-4-19-47(20-5-1)53-42-44-66-65(46-53)74-62(32-17-34-67(74)77-66)73-60-30-15-12-27-57(60)71(51-23-8-3-9-24-51)64-45-52(41-43-61(64)73)48-37-39-49(40-38-48)54-31-16-35-68-75(54)76-63(33-18-36-69(76)78-68)72-58-28-13-10-25-55(58)70(50-21-6-2-7-22-50)56-26-11-14-29-59(56)72/h1-46H.
What are the key properties of 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran?
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran has a molecular weight of 991.20 g/mol, XLogP of 21.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran is sourced from PubChem (CID 139396293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).