9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene

C45H32O — CID 72576126

IUPAC9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene
SMILESCOc1ccc(C(=Cc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C45H32O/c1-46-38-27-25-33(26-28-38)43(37-24-23-32-11-5-6-14-36(32)30-37)29-31-19-21-35(22-20-31)45-41-17-9-7-15-39(41)44(34-12-3-2-4-13-34)40-16-8-10-18-42(40)45/h2-30H,1H3
InChIKeyMSBVIBFCAWHBJQ-UHFFFAOYSA-N
MW588.75 g/mol
LogP12.08
Rot. Bonds6

About 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene

9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene (PubChem CID 72576126) has the molecular formula C45H32O and a molecular weight of 588.75 g/mol. Its IUPAC name is 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene
PubChem CID72576126
Molecular FormulaC45H32O
Molecular Weight588.75 g/mol
Exact Mass588.25
IUPAC Name9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene
SMILESCOc1ccc(C(=Cc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C45H32O/c1-46-38-27-25-33(26-28-38)43(37-24-23-32-11-5-6-14-36(32)30-37)29-31-19-21-35(22-20-31)45-41-17-9-7-15-39(41)44(34-12-3-2-4-13-34)40-16-8-10-18-42(40)45/h2-30H,1H3
InChIKeyMSBVIBFCAWHBJQ-UHFFFAOYSA-N
XLogP12.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 158274558
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
CID 171662067
[4-[(Z)-1-[4-[10-[4-[(Z)-1,2-bis(4-trimethylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-2-(4-trimethylsilylphenyl)ethenyl]phenyl]-trimethylsilane
CID 20724585
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene
CID 161350530
triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane
CID 20724631
9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
CID 59459841
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene?
The IUPAC name of 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene (CID 72576126) is 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene.
What is the SMILES notation for 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene?
The canonical SMILES for 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene is COc1ccc(C(=Cc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene?
The InChIKey is MSBVIBFCAWHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O/c1-46-38-27-25-33(26-28-38)43(37-24-23-32-11-5-6-14-36(32)30-37)29-31-19-21-35(22-20-31)45-41-17-9-7-15-39(41)44(34-12-3-2-4-13-34)40-16-8-10-18-42(40)45/h2-30H,1H3.
What are the key properties of 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene?
9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene has a molecular weight of 588.75 g/mol, XLogP of 12.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene is sourced from PubChem (CID 72576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).