bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone

C97H66O — CID 58299054

IUPACbis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
SMILESO=C(c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C97H66O/c98-97(95-63-91(87-53-79(69-31-13-3-14-32-69)49-80(54-87)70-33-15-4-16-34-70)61-93(65-95)89-57-83(73-39-21-7-22-40-73)51-85(59-89)77-45-25-43-75(47-77)67-27-9-1-10-28-67)96-64-92(88-55-81(71-35-17-5-18-36-71)50-82(56-88)72-37-19-6-20-38-72)62-94(66-96)90-58-84(74-41-23-8-24-42-74)52-86(60-90)78-46-26-44-76(48-78)68-29-11-2-12-30-68/h1-66H
InChIKeyRDJXNAKQAUQVHX-UHFFFAOYSA-N
MW1247.59 g/mol
LogP26.26
Rot. Bonds16

About bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone

bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone (PubChem CID 58299054) has the molecular formula C97H66O and a molecular weight of 1247.59 g/mol. Its IUPAC name is bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Namebis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
PubChem CID58299054
Molecular FormulaC97H66O
Molecular Weight1247.59 g/mol
Exact Mass1246.51
IUPAC Namebis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
SMILESO=C(c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C97H66O/c98-97(95-63-91(87-53-79(69-31-13-3-14-32-69)49-80(54-87)70-33-15-4-16-34-70)61-93(65-95)89-57-83(73-39-21-7-22-40-73)51-85(59-89)77-45-25-43-75(47-77)67-27-9-1-10-28-67)96-64-92(88-55-81(71-35-17-5-18-36-71)50-82(56-88)72-37-19-6-20-38-72)62-94(66-96)90-58-84(74-41-23-8-24-42-74)52-86(60-90)78-46-26-44-76(48-78)68-29-11-2-12-30-68/h1-66H
InChIKeyRDJXNAKQAUQVHX-UHFFFAOYSA-N
XLogP26.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.59
LogP ≤ 526.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone
CID 89110341
bis[3,5-bis(2-phenylphenyl)phenyl]methanone
CID 58240064
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587112
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone
CID 159669844
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
(3,5-diphenylphenyl)-[3-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587200
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361

Frequently Asked Questions

What is the IUPAC name of bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone?
The IUPAC name of bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone (CID 58299054) is bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone.
What is the SMILES notation for bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone?
The canonical SMILES for bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone is O=C(c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone?
The InChIKey is RDJXNAKQAUQVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H66O/c98-97(95-63-91(87-53-79(69-31-13-3-14-32-69)49-80(54-87)70-33-15-4-16-34-70)61-93(65-95)89-57-83(73-39-21-7-22-40-73)51-85(59-89)77-45-25-43-75(47-77)67-27-9-1-10-28-67)96-64-92(88-55-81(71-35-17-5-18-36-71)50-82(56-88)72-37-19-6-20-38-72)62-94(66-96)90-58-84(74-41-23-8-24-42-74)52-86(60-90)78-46-26-44-76(48-78)68-29-11-2-12-30-68/h1-66H.
What are the key properties of bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone?
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone has a molecular weight of 1247.59 g/mol, XLogP of 26.26, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone is sourced from PubChem (CID 58299054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).