7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene

C128H74 — CID 59412654

IUPAC7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
SMILESc1ccc2c(-c3c4ccccc4cc4c3ccc3c(-c5c6ccccc6cc6c5cc(-c5c7ccccc7cc7c5ccc5c(-c8cc9c(-c%10cc%11c(-c%12cccc%13c%12ccc%12c(-c%14cccc%15ccccc%14%15)c%14ccccc%14cc%12%13)c%12ccccc%12cc%11c%11ccccc%10%11)c%10ccccc%10cc9c9ccccc89)cccc57)c5ccccc56)cccc34)cccc2c1
InChIInChI=1S/C128H74/c1-9-38-83-75(28-1)36-23-56-104(83)123-85-40-11-3-30-77(85)66-112-97-54-26-58-106(102(97)61-64-108(112)123)125-87-42-13-6-33-80(87)69-115-93-48-19-21-50-99(93)118(73-121(115)125)127-89-44-15-5-32-79(89)68-111-95-52-25-53-96(101(95)60-63-110(111)127)117-72-120-114(91-46-17-18-47-92(91)117)71-82-35-8-16-45-90(82)128(120)119-74-122-116(94-49-20-22-51-100(94)119)70-81-34-7-14-43-88(81)126(122)107-59-27-55-98-103(107)62-65-109-113(98)67-78-31-4-12-41-86(78)124(109)105-57-24-37-76-29-2-10-39-84(76)105/h1-74H
InChIKeyMFEOSTBYHOLMFS-UHFFFAOYSA-N
MW1612.00 g/mol
LogP36.42
Rot. Bonds7

About 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene

7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene (PubChem CID 59412654) has the molecular formula C128H74 and a molecular weight of 1612.00 g/mol. Its IUPAC name is 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene.

Molecular Properties

Compound Name7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
PubChem CID59412654
Molecular FormulaC128H74
Molecular Weight1612.00 g/mol
Exact Mass1610.58
IUPAC Name7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
SMILESc1ccc2c(-c3c4ccccc4cc4c3ccc3c(-c5c6ccccc6cc6c5cc(-c5c7ccccc7cc7c5ccc5c(-c8cc9c(-c%10cc%11c(-c%12cccc%13c%12ccc%12c(-c%14cccc%15ccccc%14%15)c%14ccccc%14cc%12%13)c%12ccccc%12cc%11c%11ccccc%10%11)c%10ccccc%10cc9c9ccccc89)cccc57)c5ccccc56)cccc34)cccc2c1
InChIInChI=1S/C128H74/c1-9-38-83-75(28-1)36-23-56-104(83)123-85-40-11-3-30-77(85)66-112-97-54-26-58-106(102(97)61-64-108(112)123)125-87-42-13-6-33-80(87)69-115-93-48-19-21-50-99(93)118(73-121(115)125)127-89-44-15-5-32-79(89)68-111-95-52-25-53-96(101(95)60-63-110(111)127)117-72-120-114(91-46-17-18-47-92(91)117)71-82-35-8-16-45-90(82)128(120)119-74-122-116(94-49-20-22-51-100(94)119)70-81-34-7-14-43-88(81)126(122)107-59-27-55-98-103(107)62-65-109-113(98)67-78-31-4-12-41-86(78)124(109)105-57-24-37-76-29-2-10-39-84(76)105/h1-74H
InChIKeyMFEOSTBYHOLMFS-UHFFFAOYSA-N
XLogP36.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.00
LogP ≤ 536.42
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-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene with MolForge

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Related Compounds

1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
CID 58322783
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
CID 175811035
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
21,28-dinaphthalen-1-ylheptacyclo[16.12.0.02,11.03,8.012,17.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,12,14,16,18,20,22,24,26,28-pentadecaene
CID 123857565
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
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
9-naphthalen-1-ylphenanthrene
CID 20606742

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
The IUPAC name of 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene (CID 59412654) is 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene.
What is the SMILES notation for 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
The canonical SMILES for 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene is c1ccc2c(-c3c4ccccc4cc4c3ccc3c(-c5c6ccccc6cc6c5cc(-c5c7ccccc7cc7c5ccc5c(-c8cc9c(-c%10cc%11c(-c%12cccc%13c%12ccc%12c(-c%14cccc%15ccccc%14%15)c%14ccccc%14cc%12%13)c%12ccccc%12cc%11c%11ccccc%10%11)c%10ccccc%10cc9c9ccccc89)cccc57)c5ccccc56)cccc34)cccc2c1.
What is the InChIKey of 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
The InChIKey is MFEOSTBYHOLMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H74/c1-9-38-83-75(28-1)36-23-56-104(83)123-85-40-11-3-30-77(85)66-112-97-54-26-58-106(102(97)61-64-108(112)123)125-87-42-13-6-33-80(87)69-115-93-48-19-21-50-99(93)118(73-121(115)125)127-89-44-15-5-32-79(89)68-111-95-52-25-53-96(101(95)60-63-110(111)127)117-72-120-114(91-46-17-18-47-92(91)117)71-82-35-8-16-45-90(82)128(120)119-74-122-116(94-49-20-22-51-100(94)119)70-81-34-7-14-43-88(81)126(122)107-59-27-55-98-103(107)62-65-109-113(98)67-78-31-4-12-41-86(78)124(109)105-57-24-37-76-29-2-10-39-84(76)105/h1-74H.
What are the key properties of 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene?
7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene has a molecular weight of 1612.00 g/mol, XLogP of 36.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene is sourced from PubChem (CID 59412654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).