9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene

C69H46 — CID 123832352

IUPAC9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc23)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C69H46/c1-3-17-48(18-4-1)49-34-31-47(32-35-49)33-36-52-43-46-64(57-22-8-7-21-56(52)57)68-62-27-11-9-25-60(62)67(61-26-10-12-28-63(61)68)53-39-37-50(38-40-53)51-41-44-55(45-42-51)69(54-19-5-2-6-20-54)65-29-15-13-23-58(65)59-24-14-16-30-66(59)69/h1-46H
InChIKeyBAPOSERLXXCUDV-UHFFFAOYSA-N
MW875.13 g/mol
LogP18.35
Rot. Bonds8

About 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene

9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene (PubChem CID 123832352) has the molecular formula C69H46 and a molecular weight of 875.13 g/mol. Its IUPAC name is 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
PubChem CID123832352
Molecular FormulaC69H46
Molecular Weight875.13 g/mol
Exact Mass874.36
IUPAC Name9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc23)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C69H46/c1-3-17-48(18-4-1)49-34-31-47(32-35-49)33-36-52-43-46-64(57-22-8-7-21-56(52)57)68-62-27-11-9-25-60(62)67(61-26-10-12-28-63(61)68)53-39-37-50(38-40-53)51-41-44-55(45-42-51)69(54-19-5-2-6-20-54)65-29-15-13-23-58(65)59-24-14-16-30-66(59)69/h1-46H
InChIKeyBAPOSERLXXCUDV-UHFFFAOYSA-N
XLogP18.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123929110
9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 140834619
9-phenyl-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123602270
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834704
9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123212065
9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123749528
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123373226
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The IUPAC name of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene (CID 123832352) is 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The canonical SMILES for 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene is C(=Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc23)c2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The InChIKey is BAPOSERLXXCUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46/c1-3-17-48(18-4-1)49-34-31-47(32-35-49)33-36-52-43-46-64(57-22-8-7-21-56(52)57)68-62-27-11-9-25-60(62)67(61-26-10-12-28-63(61)68)53-39-37-50(38-40-53)51-41-44-55(45-42-51)69(54-19-5-2-6-20-54)65-29-15-13-23-58(65)59-24-14-16-30-66(59)69/h1-46H.
What are the key properties of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene has a molecular weight of 875.13 g/mol, XLogP of 18.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 123832352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).