5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene

C68H44 — CID 123600813

IUPAC5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5c6ccccc6c(-c6cc7ccc8ccccc8c7c7ccccc67)c6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C68H44/c1-4-19-45(20-5-1)52-38-53(46-21-6-2-7-22-46)40-55(39-52)49-26-18-27-50(37-49)56-41-54(47-23-8-3-9-24-47)42-57(43-56)67-61-31-14-16-33-63(61)68(64-34-17-15-32-62(64)67)65-44-51-36-35-48-25-10-11-28-58(48)66(51)60-30-13-12-29-59(60)65/h1-44H
InChIKeyHQFAGRQRTRMJGQ-UHFFFAOYSA-N
MW861.10 g/mol
LogP19.12
Rot. Bonds7

About 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene

5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene (PubChem CID 123600813) has the molecular formula C68H44 and a molecular weight of 861.10 g/mol. Its IUPAC name is 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
PubChem CID123600813
Molecular FormulaC68H44
Molecular Weight861.10 g/mol
Exact Mass860.34
IUPAC Name5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5c6ccccc6c(-c6cc7ccc8ccccc8c7c7ccccc67)c6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C68H44/c1-4-19-45(20-5-1)52-38-53(46-21-6-2-7-22-46)40-55(39-52)49-26-18-27-50(37-49)56-41-54(47-23-8-3-9-24-47)42-57(43-56)67-61-31-14-16-33-63(61)68(64-34-17-15-32-62(64)67)65-44-51-36-35-48-25-10-11-28-58(48)66(51)60-30-13-12-29-59(60)65/h1-44H
InChIKeyHQFAGRQRTRMJGQ-UHFFFAOYSA-N
XLogP19.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.10
LogP ≤ 519.12
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-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]phenanthrene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[c]phenanthrene;5-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[c]phenanthrene;5-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]phenanthrene;5-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 163505407
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
5-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]benzo[c]phenanthrene
CID 156663099
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159751343
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384

Frequently Asked Questions

What is the IUPAC name of 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene (CID 123600813) is 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5c6ccccc6c(-c6cc7ccc8ccccc8c7c7ccccc67)c6ccccc56)c4)c3)c2)cc1.
What is the InChIKey of 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene?
The InChIKey is HQFAGRQRTRMJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44/c1-4-19-45(20-5-1)52-38-53(46-21-6-2-7-22-46)40-55(39-52)49-26-18-27-50(37-49)56-41-54(47-23-8-3-9-24-47)42-57(43-56)67-61-31-14-16-33-63(61)68(64-34-17-15-32-62(64)67)65-44-51-36-35-48-25-10-11-28-58(48)66(51)60-30-13-12-29-59(60)65/h1-44H.
What are the key properties of 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene?
5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene has a molecular weight of 861.10 g/mol, XLogP of 19.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene is sourced from PubChem (CID 123600813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).