9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene

C70H44 — CID 59523734

IUPAC9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)cc6)c6ccccc56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C70H44/c1-3-17-51-43-53(39-29-45(51)15-1)69-63-25-11-7-21-59(63)67(60-22-8-12-26-64(60)69)49-35-31-47(32-36-49)55-41-42-56(58-20-6-5-19-57(55)58)48-33-37-50(38-34-48)68-61-23-9-13-27-65(61)70(66-28-14-10-24-62(66)68)54-40-30-46-16-2-4-18-52(46)44-54/h1-44H
InChIKeyQPNAYUDAAZBWST-UHFFFAOYSA-N
MW885.12 g/mol
LogP19.76
Rot. Bonds6

About 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene

9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene (PubChem CID 59523734) has the molecular formula C70H44 and a molecular weight of 885.12 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
PubChem CID59523734
Molecular FormulaC70H44
Molecular Weight885.12 g/mol
Exact Mass884.34
IUPAC Name9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)cc6)c6ccccc56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C70H44/c1-3-17-51-43-53(39-29-45(51)15-1)69-63-25-11-7-21-59(63)67(60-22-8-12-26-64(60)69)49-35-31-47(32-36-49)55-41-42-56(58-20-6-5-19-57(55)58)48-33-37-50(38-34-48)68-61-23-9-13-27-65(61)70(66-28-14-10-24-62(66)68)54-40-30-46-16-2-4-18-52(46)44-54/h1-44H
InChIKeyQPNAYUDAAZBWST-UHFFFAOYSA-N
XLogP19.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.12
LogP ≤ 519.76
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

9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene (CID 59523734) is 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)cc6)c6ccccc56)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene?
The InChIKey is QPNAYUDAAZBWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44/c1-3-17-51-43-53(39-29-45(51)15-1)69-63-25-11-7-21-59(63)67(60-22-8-12-26-64(60)69)49-35-31-47(32-36-49)55-41-42-56(58-20-6-5-19-57(55)58)48-33-37-50(38-34-48)68-61-23-9-13-27-65(61)70(66-28-14-10-24-62(66)68)54-40-30-46-16-2-4-18-52(46)44-54/h1-44H.
What are the key properties of 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene?
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene has a molecular weight of 885.12 g/mol, XLogP of 19.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene is sourced from PubChem (CID 59523734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).