9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene

C58H44 — CID 59858821

IUPAC9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
SMILESc1cc2c(c(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc7c6CCCC7)c6ccccc56)c5ccccc45)c4ccccc34)c1)CCCC2
InChIInChI=1S/C58H44/c1-3-21-39-37(17-1)19-15-33-43(39)55-45-25-7-11-29-49(45)57(50-30-12-8-26-46(50)55)53-35-36-54(42-24-6-5-23-41(42)53)58-51-31-13-9-27-47(51)56(48-28-10-14-32-52(48)58)44-34-16-20-38-18-2-4-22-40(38)44/h5-16,19-20,23-36H,1-4,17-18,21-22H2
InChIKeyCIPMUIFGWUBKQK-UHFFFAOYSA-N
MW740.99 g/mol
LogP15.88
Rot. Bonds4

About 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene

9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene (PubChem CID 59858821) has the molecular formula C58H44 and a molecular weight of 740.99 g/mol. Its IUPAC name is 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
PubChem CID59858821
Molecular FormulaC58H44
Molecular Weight740.99 g/mol
Exact Mass740.34
IUPAC Name9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
SMILESc1cc2c(c(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc7c6CCCC7)c6ccccc56)c5ccccc45)c4ccccc34)c1)CCCC2
InChIInChI=1S/C58H44/c1-3-21-39-37(17-1)19-15-33-43(39)55-45-25-7-11-29-49(45)57(50-30-12-8-26-46(50)55)53-35-36-54(42-24-6-5-23-41(42)53)58-51-31-13-9-27-47(51)56(48-28-10-14-32-52(48)58)44-34-16-20-38-18-2-4-22-40(38)44/h5-16,19-20,23-36H,1-4,17-18,21-22H2
InChIKeyCIPMUIFGWUBKQK-UHFFFAOYSA-N
XLogP15.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.99
LogP ≤ 515.88
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

trimethyl-[9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,6-bis(trimethylsilyl)anthracen-9-yl]naphthalen-1-yl]-6-trimethylsilylanthracen-2-yl]silane
CID 59861191
9,10-bis(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9,10-dibromoanthracene;5,6,7,8-tetrahydronaphthalen-1-ylboronic acid
CID 159170117
9,10-bis(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9,10-dibromoanthracene;methane;5,6,7,8-tetrahydronaphthalen-1-ylboronic acid
CID 159160996
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
CID 145078311
3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 146453462
3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
CID 59245208
phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 23110735
9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene
CID 157126907
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
CID 59195164
tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
CID 91804905
2,3,4,6-tetrahydro-1H-chrysen-5-one
CID 174299531
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)benzene-1,3-diamine
CID 19849900

Frequently Asked Questions

What is the IUPAC name of 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene?
The IUPAC name of 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene (CID 59858821) is 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene?
The canonical SMILES for 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene is c1cc2c(c(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc7c6CCCC7)c6ccccc56)c5ccccc45)c4ccccc34)c1)CCCC2.
What is the InChIKey of 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene?
The InChIKey is CIPMUIFGWUBKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44/c1-3-21-39-37(17-1)19-15-33-43(39)55-45-25-7-11-29-49(45)57(50-30-12-8-26-46(50)55)53-35-36-54(42-24-6-5-23-41(42)53)58-51-31-13-9-27-47(51)56(48-28-10-14-32-52(48)58)44-34-16-20-38-18-2-4-22-40(38)44/h5-16,19-20,23-36H,1-4,17-18,21-22H2.
What are the key properties of 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene?
9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene has a molecular weight of 740.99 g/mol, XLogP of 15.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 59858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).