1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene

C64H44 — CID 123710605

IUPAC1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene
SMILESC(=Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(C=Cc6ccccc6)c5)cc4)c4c(-c5ccc6ccccc6c5)cccc34)cc2)c1)c1ccccc1
InChIInChI=1S/C64H44/c1-3-14-45(15-4-1)28-30-47-18-11-22-54(42-47)50-32-37-52(38-33-50)62-59-24-9-10-25-60(59)63(64-58(26-13-27-61(62)64)57-41-36-49-20-7-8-21-56(49)44-57)53-39-34-51(35-40-53)55-23-12-19-48(43-55)31-29-46-16-5-2-6-17-46/h1-44H
InChIKeyZRNIOIKCTZERBF-UHFFFAOYSA-N
MW813.06 g/mol
LogP17.82
Rot. Bonds9

About 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene

1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene (PubChem CID 123710605) has the molecular formula C64H44 and a molecular weight of 813.06 g/mol. Its IUPAC name is 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene.

Molecular Properties

Compound Name1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene
PubChem CID123710605
Molecular FormulaC64H44
Molecular Weight813.06 g/mol
Exact Mass812.34
IUPAC Name1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene
SMILESC(=Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(C=Cc6ccccc6)c5)cc4)c4c(-c5ccc6ccccc6c5)cccc34)cc2)c1)c1ccccc1
InChIInChI=1S/C64H44/c1-3-14-45(15-4-1)28-30-47-18-11-22-54(42-47)50-32-37-52(38-33-50)62-59-24-9-10-25-60(59)63(64-58(26-13-27-61(62)64)57-41-36-49-20-7-8-21-56(49)44-57)53-39-34-51(35-40-53)55-23-12-19-48(43-55)31-29-46-16-5-2-6-17-46/h1-44H
InChIKeyZRNIOIKCTZERBF-UHFFFAOYSA-N
XLogP17.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 517.82
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[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene
CID 140583794
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
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
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
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-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 58402256
9,10-diphenyl-1-[2-[2-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene
CID 58402271
9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
CID 58954157
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
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
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene
CID 160634464

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene?
The IUPAC name of 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene (CID 123710605) is 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene.
What is the SMILES notation for 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene?
The canonical SMILES for 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene is C(=Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(C=Cc6ccccc6)c5)cc4)c4c(-c5ccc6ccccc6c5)cccc34)cc2)c1)c1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene?
The InChIKey is ZRNIOIKCTZERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44/c1-3-14-45(15-4-1)28-30-47-18-11-22-54(42-47)50-32-37-52(38-33-50)62-59-24-9-10-25-60(59)63(64-58(26-13-27-61(62)64)57-41-36-49-20-7-8-21-56(49)44-57)53-39-34-51(35-40-53)55-23-12-19-48(43-55)31-29-46-16-5-2-6-17-46/h1-44H.
What are the key properties of 1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene?
1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene has a molecular weight of 813.06 g/mol, XLogP of 17.82, 9 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[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene is sourced from PubChem (CID 123710605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).