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

C42H28 — CID 58954157

IUPAC9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
SMILESC(=C/c1ccc2ccccc2c1)\c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C42H28/c1-3-13-33-26-30(22-23-31(33)11-1)21-20-29-10-9-15-35(27-29)41-37-16-5-7-18-39(37)42(40-19-8-6-17-38(40)41)36-25-24-32-12-2-4-14-34(32)28-36/h1-28H/b21-20+
InChIKeyPXMOYZDYNKSMAK-QZQOTICOSA-N
MW532.69 g/mol
LogP11.80
Rot. Bonds4

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

9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene (PubChem CID 58954157) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
PubChem CID58954157
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
SMILESC(=C/c1ccc2ccccc2c1)\c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C42H28/c1-3-13-33-26-30(22-23-31(33)11-1)21-20-29-10-9-15-35(27-29)41-37-16-5-7-18-39(37)42(40-19-8-6-17-38(40)41)36-25-24-32-12-2-4-14-34(32)28-36/h1-28H/b21-20+
InChIKeyPXMOYZDYNKSMAK-QZQOTICOSA-N
XLogP11.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.80
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-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene
CID 58876001
1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene
CID 140583794
1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene
CID 123710605
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
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
CID 88533868
9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene
CID 59801167
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-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 58402256

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene (CID 58954157) is 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene is C(=C/c1ccc2ccccc2c1)\c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene?
The InChIKey is PXMOYZDYNKSMAK-QZQOTICOSA-N. The full InChI is InChI=1S/C42H28/c1-3-13-33-26-30(22-23-31(33)11-1)21-20-29-10-9-15-35(27-29)41-37-16-5-7-18-39(37)42(40-19-8-6-17-38(40)41)36-25-24-32-12-2-4-14-34(32)28-36/h1-28H/b21-20+.
What are the key properties of 9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene?
9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene has a molecular weight of 532.69 g/mol, XLogP of 11.80, 4 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-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene is sourced from PubChem (CID 58954157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).