9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene

C53H36 — CID 58876001

IUPAC9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene
SMILESCc1c2ccccc2c(-c2ccc3cc(-c4c5ccccc5c(-c5cccc(/C=C/c6ccccc6)c5)c5ccccc45)ccc3c2)c2ccccc12
InChIInChI=1S/C53H36/c1-35-43-18-5-7-20-45(43)52(46-21-8-6-19-44(35)46)41-30-28-39-34-42(31-29-38(39)33-41)53-49-24-11-9-22-47(49)51(48-23-10-12-25-50(48)53)40-17-13-16-37(32-40)27-26-36-14-3-2-4-15-36/h2-34H,1H3/b27-26+
InChIKeyJHQFODGPBLKRBM-CYYJNZCTSA-N
MW672.87 g/mol
LogP14.93
Rot. Bonds5

About 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene

9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene (PubChem CID 58876001) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene
PubChem CID58876001
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene
SMILESCc1c2ccccc2c(-c2ccc3cc(-c4c5ccccc5c(-c5cccc(/C=C/c6ccccc6)c5)c5ccccc45)ccc3c2)c2ccccc12
InChIInChI=1S/C53H36/c1-35-43-18-5-7-20-45(43)52(46-21-8-6-19-44(35)46)41-30-28-39-34-42(31-29-38(39)33-41)53-49-24-11-9-22-47(49)51(48-23-10-12-25-50(48)53)40-17-13-16-37(32-40)27-26-36-14-3-2-4-15-36/h2-34H,1H3/b27-26+
InChIKeyJHQFODGPBLKRBM-CYYJNZCTSA-N
XLogP14.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.93
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

9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
CID 58954157
9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 58402256
1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene
CID 123710605
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
CID 58875999
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-methyl-10-(3-phenylphenyl)anthracene
CID 58599979
9-[3-methyl-5-[(Z)-2-phenylethenyl]phenyl]-10-[10-[3-methyl-5-[(Z)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracene
CID 163495616
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
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
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene?
The IUPAC name of 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene (CID 58876001) is 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene?
The canonical SMILES for 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene is Cc1c2ccccc2c(-c2ccc3cc(-c4c5ccccc5c(-c5cccc(/C=C/c6ccccc6)c5)c5ccccc45)ccc3c2)c2ccccc12.
What is the InChIKey of 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene?
The InChIKey is JHQFODGPBLKRBM-CYYJNZCTSA-N. The full InChI is InChI=1S/C53H36/c1-35-43-18-5-7-20-45(43)52(46-21-8-6-19-44(35)46)41-30-28-39-34-42(31-29-38(39)33-41)53-49-24-11-9-22-47(49)51(48-23-10-12-25-50(48)53)40-17-13-16-37(32-40)27-26-36-14-3-2-4-15-36/h2-34H,1H3/b27-26+.
What are the key properties of 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene?
9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene has a molecular weight of 672.87 g/mol, XLogP of 14.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 58876001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).