9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

C79H54O2 — CID 20821900

IUPAC9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc(OC)c8ccccc78)c7ccccc67)c6ccccc56)ccc3-4)c3ccccc23)c2ccccc12
InChIInChI=1S/C79H54O2/c1-79(2)69-45-47(73-55-25-9-13-29-59(55)75(60-30-14-10-26-56(60)73)67-41-43-71(80-3)53-23-7-5-21-49(53)67)37-39-51(69)52-40-38-48(46-70(52)79)74-57-27-11-17-33-63(57)77(64-34-18-12-28-58(64)74)78-65-35-19-15-31-61(65)76(62-32-16-20-36-66(62)78)68-42-44-72(81-4)54-24-8-6-22-50(54)68/h5-46H,1-4H3
InChIKeyGGGTVPLNFAHKFB-UHFFFAOYSA-N
MW1035.30 g/mol
LogP21.57
Rot. Bonds7

About 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (PubChem CID 20821900) has the molecular formula C79H54O2 and a molecular weight of 1035.30 g/mol. Its IUPAC name is 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
PubChem CID20821900
Molecular FormulaC79H54O2
Molecular Weight1035.30 g/mol
Exact Mass1034.41
IUPAC Name9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc(OC)c8ccccc78)c7ccccc67)c6ccccc56)ccc3-4)c3ccccc23)c2ccccc12
InChIInChI=1S/C79H54O2/c1-79(2)69-45-47(73-55-25-9-13-29-59(55)75(60-30-14-10-26-56(60)73)67-41-43-71(80-3)53-23-7-5-21-49(53)67)37-39-51(69)52-40-38-48(46-70(52)79)74-57-27-11-17-33-63(57)77(64-34-18-12-28-58(64)74)78-65-35-19-15-31-61(65)76(62-32-16-20-36-66(62)78)68-42-44-72(81-4)54-24-8-6-22-50(54)68/h5-46H,1-4H3
InChIKeyGGGTVPLNFAHKFB-UHFFFAOYSA-N
XLogP21.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.30
LogP ≤ 521.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene with MolForge

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Related Compounds

9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene
CID 20822251
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The IUPAC name of 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (CID 20821900) is 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.
What is the SMILES notation for 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The canonical SMILES for 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc(OC)c8ccccc78)c7ccccc67)c6ccccc56)ccc3-4)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The InChIKey is GGGTVPLNFAHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54O2/c1-79(2)69-45-47(73-55-25-9-13-29-59(55)75(60-30-14-10-26-56(60)73)67-41-43-71(80-3)53-23-7-5-21-49(53)67)37-39-51(69)52-40-38-48(46-70(52)79)74-57-27-11-17-33-63(57)77(64-34-18-12-28-58(64)74)78-65-35-19-15-31-61(65)76(62-32-16-20-36-66(62)78)68-42-44-72(81-4)54-24-8-6-22-50(54)68/h5-46H,1-4H3.
What are the key properties of 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene has a molecular weight of 1035.30 g/mol, XLogP of 21.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is sourced from PubChem (CID 20821900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).