7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene

C100H58 — CID 59412700

IUPAC7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
SMILESc1ccc2cc3cc(-c4c5ccccc5cc5c4ccc4c(-c6c7ccccc7cc7c6ccc6c(-c8cccc9c8ccc8c(-c%10cccc%11c%10ccc%10c(-c%12ccc%13cc%14ccccc%14cc%13c%12)c%12ccccc%12cc%10%11)c%10ccccc%10cc89)cccc67)cccc45)ccc3cc2c1
InChIInChI=1S/C100H58/c1-3-19-61-51-71-53-69(39-37-63(71)49-59(61)17-1)97-73-25-9-5-21-65(73)55-93-81-33-15-35-87(85(81)43-45-89(93)97)99-75-27-11-7-23-67(75)57-95-79-31-13-29-77(83(79)41-47-91(95)99)78-30-14-32-80-84(78)42-48-92-96(80)58-68-24-8-12-28-76(68)100(92)88-36-16-34-82-86(88)44-46-90-94(82)56-66-22-6-10-26-74(66)98(90)70-40-38-64-50-60-18-2-4-20-62(60)52-72(64)54-70/h1-58H
InChIKeyGXCQUXTXBQQVLD-UHFFFAOYSA-N
MW1259.56 g/mol
LogP28.47
Rot. Bonds5

About 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene

7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene (PubChem CID 59412700) has the molecular formula C100H58 and a molecular weight of 1259.56 g/mol. Its IUPAC name is 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene.

Molecular Properties

Compound Name7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
PubChem CID59412700
Molecular FormulaC100H58
Molecular Weight1259.56 g/mol
Exact Mass1258.45
IUPAC Name7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
SMILESc1ccc2cc3cc(-c4c5ccccc5cc5c4ccc4c(-c6c7ccccc7cc7c6ccc6c(-c8cccc9c8ccc8c(-c%10cccc%11c%10ccc%10c(-c%12ccc%13cc%14ccccc%14cc%13c%12)c%12ccccc%12cc%10%11)c%10ccccc%10cc89)cccc67)cccc45)ccc3cc2c1
InChIInChI=1S/C100H58/c1-3-19-61-51-71-53-69(39-37-63(71)49-59(61)17-1)97-73-25-9-5-21-65(73)55-93-81-33-15-35-87(85(81)43-45-89(93)97)99-75-27-11-7-23-67(75)57-95-79-31-13-29-77(83(79)41-47-91(95)99)78-30-14-32-80-84(78)42-48-92-96(80)58-68-24-8-12-28-76(68)100(92)88-36-16-34-82-86(88)44-46-90-94(82)56-66-22-6-10-26-74(66)98(90)70-40-38-64-50-60-18-2-4-20-62(60)52-72(64)54-70/h1-58H
InChIKeyGXCQUXTXBQQVLD-UHFFFAOYSA-N
XLogP28.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.56
LogP ≤ 528.47
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'}

Analyze 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene with MolForge

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Related Compounds

7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 59412748
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 123375049
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
CID 159591675
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene
CID 140783337
9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene
CID 161455354

Frequently Asked Questions

What is the IUPAC name of 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
The IUPAC name of 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene (CID 59412700) is 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene.
What is the SMILES notation for 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
The canonical SMILES for 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene is c1ccc2cc3cc(-c4c5ccccc5cc5c4ccc4c(-c6c7ccccc7cc7c6ccc6c(-c8cccc9c8ccc8c(-c%10cccc%11c%10ccc%10c(-c%12ccc%13cc%14ccccc%14cc%13c%12)c%12ccccc%12cc%10%11)c%10ccccc%10cc89)cccc67)cccc45)ccc3cc2c1.
What is the InChIKey of 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
The InChIKey is GXCQUXTXBQQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H58/c1-3-19-61-51-71-53-69(39-37-63(71)49-59(61)17-1)97-73-25-9-5-21-65(73)55-93-81-33-15-35-87(85(81)43-45-89(93)97)99-75-27-11-7-23-67(75)57-95-79-31-13-29-77(83(79)41-47-91(95)99)78-30-14-32-80-84(78)42-48-92-96(80)58-68-24-8-12-28-76(68)100(92)88-36-16-34-82-86(88)44-46-90-94(82)56-66-22-6-10-26-74(66)98(90)70-40-38-64-50-60-18-2-4-20-62(60)52-72(64)54-70/h1-58H.
What are the key properties of 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene has a molecular weight of 1259.56 g/mol, XLogP of 28.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene is sourced from PubChem (CID 59412700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).