9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene

C68H42 — CID 59861499

IUPAC9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C68H42/c1-3-23-45-43(19-1)21-17-37-53(45)65-55-29-9-13-33-59(55)67(60-34-14-10-30-56(60)65)63-41-39-51(47-25-5-7-27-49(47)63)52-40-42-64(50-28-8-6-26-48(50)52)68-61-35-15-11-31-57(61)66(58-32-12-16-36-62(58)68)54-38-18-22-44-20-2-4-24-46(44)54/h1-42H
InChIKeyDVSXIYAIZMQLHE-UHFFFAOYSA-N
MW859.08 g/mol
LogP19.25
Rot. Bonds5

About 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene

9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene (PubChem CID 59861499) has the molecular formula C68H42 and a molecular weight of 859.08 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
PubChem CID59861499
Molecular FormulaC68H42
Molecular Weight859.08 g/mol
Exact Mass858.33
IUPAC Name9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C68H42/c1-3-23-45-43(19-1)21-17-37-53(45)65-55-29-9-13-33-59(55)67(60-34-14-10-30-56(60)65)63-41-39-51(47-25-5-7-27-49(47)63)52-40-42-64(50-28-8-6-26-48(50)52)68-61-35-15-11-31-57(61)66(58-32-12-16-36-62(58)68)54-38-18-22-44-20-2-4-24-46(44)54/h1-42H
InChIKeyDVSXIYAIZMQLHE-UHFFFAOYSA-N
XLogP19.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.08
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene (CID 59861499) is 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene?
The InChIKey is DVSXIYAIZMQLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42/c1-3-23-45-43(19-1)21-17-37-53(45)65-55-29-9-13-33-59(55)67(60-34-14-10-30-56(60)65)63-41-39-51(47-25-5-7-27-49(47)63)52-40-42-64(50-28-8-6-26-48(50)52)68-61-35-15-11-31-57(61)66(58-32-12-16-36-62(58)68)54-38-18-22-44-20-2-4-24-46(44)54/h1-42H.
What are the key properties of 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene?
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene has a molecular weight of 859.08 g/mol, XLogP of 19.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 59861499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).