4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene

C82H52 — CID 156676922

IUPAC4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc(-c6cccc7c6ccc6cc8ccccc8cc67)ccc45)cc32)cc1
InChIInChI=1S/C82H52/c1-5-24-59(25-6-1)81(60-26-7-2-8-27-60)75-38-19-17-32-66(75)68-45-42-57(51-77(68)81)79-70-34-15-16-35-71(70)80(58-43-46-69-67-33-18-20-39-76(67)82(78(69)52-58,61-28-9-3-10-29-61)62-30-11-4-12-31-62)74-50-56(41-47-72(74)79)63-36-21-37-64-65(63)44-40-55-48-53-22-13-14-23-54(53)49-73(55)64/h1-52H
InChIKeySONRXXDCRWBQPR-UHFFFAOYSA-N
MW1037.32 g/mol
LogP21.18
Rot. Bonds7

About 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene

4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene (PubChem CID 156676922) has the molecular formula C82H52 and a molecular weight of 1037.32 g/mol. Its IUPAC name is 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene.

Molecular Properties

Compound Name4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
PubChem CID156676922
Molecular FormulaC82H52
Molecular Weight1037.32 g/mol
Exact Mass1036.41
IUPAC Name4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc(-c6cccc7c6ccc6cc8ccccc8cc67)ccc45)cc32)cc1
InChIInChI=1S/C82H52/c1-5-24-59(25-6-1)81(60-26-7-2-8-27-60)75-38-19-17-32-66(75)68-45-42-57(51-77(68)81)79-70-34-15-16-35-71(70)80(58-43-46-69-67-33-18-20-39-76(67)82(78(69)52-58,61-28-9-3-10-29-61)62-30-11-4-12-31-62)74-50-56(41-47-72(74)79)63-36-21-37-64-65(63)44-40-55-48-53-22-13-14-23-54(53)49-73(55)64/h1-52H
InChIKeySONRXXDCRWBQPR-UHFFFAOYSA-N
XLogP21.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.32
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
CID 59859297
8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene
CID 164740425
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 161164910
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(2-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 161188323
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-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923
2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298

Frequently Asked Questions

What is the IUPAC name of 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene?
The IUPAC name of 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene (CID 156676922) is 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene.
What is the SMILES notation for 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene?
The canonical SMILES for 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc(-c6cccc7c6ccc6cc8ccccc8cc67)ccc45)cc32)cc1.
What is the InChIKey of 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene?
The InChIKey is SONRXXDCRWBQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52/c1-5-24-59(25-6-1)81(60-26-7-2-8-27-60)75-38-19-17-32-66(75)68-45-42-57(51-77(68)81)79-70-34-15-16-35-71(70)80(58-43-46-69-67-33-18-20-39-76(67)82(78(69)52-58,61-28-9-3-10-29-61)62-30-11-4-12-31-62)74-50-56(41-47-72(74)79)63-36-21-37-64-65(63)44-40-55-48-53-22-13-14-23-54(53)49-73(55)64/h1-52H.
What are the key properties of 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene?
4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene has a molecular weight of 1037.32 g/mol, XLogP of 21.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene is sourced from PubChem (CID 156676922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).