1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene

C73H54 — CID 123261284

IUPAC1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene
SMILESC1=CC(C(c2ccccc2)(c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)=CCC1
InChIInChI=1S/C73H54/c1-7-27-53(28-8-1)65-39-19-23-43-69(65)57-47-58(70-44-24-20-40-66(70)54-29-9-2-10-30-54)50-63(49-57)73(61-35-15-5-16-36-61,62-37-17-6-18-38-62)64-51-59(71-45-25-21-41-67(71)55-31-11-3-12-32-55)48-60(52-64)72-46-26-22-42-68(72)56-33-13-4-14-34-56/h1-5,7-17,19-52H,6,18H2
InChIKeyRGBNUIAOMTUGMS-UHFFFAOYSA-N
MW931.24 g/mol
LogP19.63
Rot. Bonds12

About 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene

1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene (PubChem CID 123261284) has the molecular formula C73H54 and a molecular weight of 931.24 g/mol. Its IUPAC name is 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene
PubChem CID123261284
Molecular FormulaC73H54
Molecular Weight931.24 g/mol
Exact Mass930.42
IUPAC Name1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene
SMILESC1=CC(C(c2ccccc2)(c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)=CCC1
InChIInChI=1S/C73H54/c1-7-27-53(28-8-1)65-39-19-23-43-69(65)57-47-58(70-44-24-20-40-66(70)54-29-9-2-10-30-54)50-63(49-57)73(61-35-15-5-16-36-61,62-37-17-6-18-38-62)64-51-59(71-45-25-21-41-67(71)55-31-11-3-12-32-55)48-60(52-64)72-46-26-22-42-68(72)56-33-13-4-14-34-56/h1-5,7-17,19-52H,6,18H2
InChIKeyRGBNUIAOMTUGMS-UHFFFAOYSA-N
XLogP19.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.24
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene?
The IUPAC name of 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene (CID 123261284) is 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene.
What is the SMILES notation for 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene?
The canonical SMILES for 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene is C1=CC(C(c2ccccc2)(c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)=CCC1.
What is the InChIKey of 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene?
The InChIKey is RGBNUIAOMTUGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54/c1-7-27-53(28-8-1)65-39-19-23-43-69(65)57-47-58(70-44-24-20-40-66(70)54-29-9-2-10-30-54)50-63(49-57)73(61-35-15-5-16-36-61,62-37-17-6-18-38-62)64-51-59(71-45-25-21-41-67(71)55-31-11-3-12-32-55)48-60(52-64)72-46-26-22-42-68(72)56-33-13-4-14-34-56/h1-5,7-17,19-52H,6,18H2.
What are the key properties of 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene?
1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene has a molecular weight of 931.24 g/mol, XLogP of 19.63, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(2-phenylphenyl)phenyl]-cyclohexa-1,5-dien-1-yl-phenylmethyl]-3,5-bis(2-phenylphenyl)benzene is sourced from PubChem (CID 123261284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).