1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene

C60H40 — CID 140583794

IUPAC1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene
SMILESC(=C/c1cccc2ccccc12)\c1cccc(-c2c3ccccc3c(-c3cccc(/C=C/c4cccc5ccccc45)c3)c3c(-c4ccc5ccccc5c4)cccc23)c1
InChIInChI=1S/C60H40/c1-2-19-48-40-49(37-36-43(48)16-1)54-30-13-31-57-58(50-24-9-14-41(38-50)32-34-46-22-11-20-44-17-3-5-26-52(44)46)55-28-7-8-29-56(55)59(60(54)57)51-25-10-15-42(39-51)33-35-47-23-12-21-45-18-4-6-27-53(45)47/h1-40H/b34-32+,35-33+
InChIKeyLNPASSFJUQJEDU-XUXOKTBYSA-N
MW760.98 g/mol
LogP16.79
Rot. Bonds7

About 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene

1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene (PubChem CID 140583794) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene.

Molecular Properties

Compound Name1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene
PubChem CID140583794
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene
SMILESC(=C/c1cccc2ccccc12)\c1cccc(-c2c3ccccc3c(-c3cccc(/C=C/c4cccc5ccccc45)c3)c3c(-c4ccc5ccccc5c4)cccc23)c1
InChIInChI=1S/C60H40/c1-2-19-48-40-49(37-36-43(48)16-1)54-30-13-31-57-58(50-24-9-14-41(38-50)32-34-46-22-11-20-44-17-3-5-26-52(44)46)55-28-7-8-29-56(55)59(60(54)57)51-25-10-15-42(39-51)33-35-47-23-12-21-45-18-4-6-27-53(45)47/h1-40H/b34-32+,35-33+
InChIKeyLNPASSFJUQJEDU-XUXOKTBYSA-N
XLogP16.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene
CID 157334400
1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene
CID 123710605
9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
CID 58954157
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123964617
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
9,10-diphenyl-1-[2-[2-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene
CID 58402271
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
CID 143913988
2-[4-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]ethenyl]phenyl]-9,10-diphenylanthracene;9,10-diphenyl-1-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene;9,10-diphenyl-2-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene;9-phenyl-10-[4-[2-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 160735002
9,10-diphenyl-1-[3-[2-[2-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene;9,10-diphenyl-1-[3-[2-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene;9-phenyl-10-[2-[3-[2-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene;9-phenyl-10-[3-[3-[2-[4-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 160854959
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993
1-[3-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]ethenyl]phenyl]-9,10-diphenylanthracene;2-[2-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]ethenyl]phenyl]-9,10-diphenylanthracene;2-[3-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]ethenyl]phenyl]-9,10-diphenylanthracene;9-phenyl-10-[2-[2-[2-[2-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene;9-phenyl-10-[2-[2-[2-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene;9-phenyl-10-[3-[2-[2-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 158542070

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene?
The IUPAC name of 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene (CID 140583794) is 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene.
What is the SMILES notation for 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene?
The canonical SMILES for 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene is C(=C/c1cccc2ccccc12)\c1cccc(-c2c3ccccc3c(-c3cccc(/C=C/c4cccc5ccccc45)c3)c3c(-c4ccc5ccccc5c4)cccc23)c1.
What is the InChIKey of 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene?
The InChIKey is LNPASSFJUQJEDU-XUXOKTBYSA-N. The full InChI is InChI=1S/C60H40/c1-2-19-48-40-49(37-36-43(48)16-1)54-30-13-31-57-58(50-24-9-14-41(38-50)32-34-46-22-11-20-44-17-3-5-26-52(44)46)55-28-7-8-29-56(55)59(60(54)57)51-25-10-15-42(39-51)33-35-47-23-12-21-45-18-4-6-27-53(45)47/h1-40H/b34-32+,35-33+.
What are the key properties of 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene?
1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene has a molecular weight of 760.98 g/mol, XLogP of 16.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene is sourced from PubChem (CID 140583794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).