2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene

C48H32S — CID 146588556

IUPAC2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene
SMILESC=Cc1sc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccccc7)cc56)c5ccccc45)cc3)ccc2c1C=C
InChIInChI=1S/C48H32S/c1-3-37-38-28-27-36(30-46(38)49-45(37)4-2)32-21-24-34(25-22-32)47-39-16-8-10-18-41(39)48(42-19-11-9-17-40(42)47)43-20-12-15-33-23-26-35(29-44(33)43)31-13-6-5-7-14-31/h3-30H,1-2H2
InChIKeyRGOFVOBLOAPNTI-UHFFFAOYSA-N
MW640.85 g/mol
LogP14.31
Rot. Bonds6

About 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene

2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene (PubChem CID 146588556) has the molecular formula C48H32S and a molecular weight of 640.85 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene
PubChem CID146588556
Molecular FormulaC48H32S
Molecular Weight640.85 g/mol
Exact Mass640.22
IUPAC Name2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene
SMILESC=Cc1sc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccccc7)cc56)c5ccccc45)cc3)ccc2c1C=C
InChIInChI=1S/C48H32S/c1-3-37-38-28-27-36(30-46(38)49-45(37)4-2)32-21-24-34(25-22-32)47-39-16-8-10-18-41(39)48(42-19-11-9-17-40(42)47)43-20-12-15-33-23-26-35(29-44(33)43)31-13-6-5-7-14-31/h3-30H,1-2H2
InChIKeyRGOFVOBLOAPNTI-UHFFFAOYSA-N
XLogP14.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene
CID 146539717
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene?
The IUPAC name of 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene (CID 146588556) is 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene.
What is the SMILES notation for 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene?
The canonical SMILES for 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene is C=Cc1sc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccccc7)cc56)c5ccccc45)cc3)ccc2c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene?
The InChIKey is RGOFVOBLOAPNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32S/c1-3-37-38-28-27-36(30-46(38)49-45(37)4-2)32-21-24-34(25-22-32)47-39-16-8-10-18-41(39)48(42-19-11-9-17-40(42)47)43-20-12-15-33-23-26-35(29-44(33)43)31-13-6-5-7-14-31/h3-30H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene?
2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene has a molecular weight of 640.85 g/mol, XLogP of 14.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-1-benzothiophene is sourced from PubChem (CID 146588556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).