methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene

C141H100S4 — CID 157364267

IUPACmethane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene
SMILESC.C.C.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)s2)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)s2)cc1.c1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)s5)c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4)s3)cccc2c1
InChIInChI=1S/C58H36S2.2C40H26S.3CH4/c1-4-20-41-37(14-1)17-11-27-44(41)54-33-32-53(59-54)40-30-31-46(56-35-34-55(60-56)45-28-12-18-38-15-2-5-21-42(38)45)52(36-40)58-50-25-9-7-23-48(50)57(49-24-8-10-26-51(49)58)47-29-13-19-39-16-3-6-22-43(39)47;1-2-13-28(14-3-1)37-24-25-38(41-37)29-16-10-17-30(26-29)39-33-19-6-8-21-35(33)40(36-22-9-7-20-34(36)39)32-23-11-15-27-12-4-5-18-31(27)32;1-2-12-28(13-3-1)37-23-24-38(41-37)30-15-10-16-31(26-30)39-33-17-6-8-19-35(33)40(36-20-9-7-18-34(36)39)32-22-21-27-11-4-5-14-29(27)25-32;;;/h1-36H;2*1-26H;3*1H4
InChIKeyBIZPGOXIZLAYEO-UHFFFAOYSA-N
MW1922.62 g/mol
LogP43.24
Rot. Bonds14

About methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene

methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene (PubChem CID 157364267) has the molecular formula C141H100S4 and a molecular weight of 1922.62 g/mol. Its IUPAC name is methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene.

Molecular Properties

Compound Namemethane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene
PubChem CID157364267
Molecular FormulaC141H100S4
Molecular Weight1922.62 g/mol
Exact Mass1920.67
IUPAC Namemethane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene
SMILESC.C.C.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)s2)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)s2)cc1.c1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)s5)c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4)s3)cccc2c1
InChIInChI=1S/C58H36S2.2C40H26S.3CH4/c1-4-20-41-37(14-1)17-11-27-44(41)54-33-32-53(59-54)40-30-31-46(56-35-34-55(60-56)45-28-12-18-38-15-2-5-21-42(38)45)52(36-40)58-50-25-9-7-23-48(50)57(49-24-8-10-26-51(49)58)47-29-13-19-39-16-3-6-22-43(39)47;1-2-13-28(14-3-1)37-24-25-38(41-37)29-16-10-17-30(26-29)39-33-19-6-8-21-35(33)40(36-22-9-7-20-34(36)39)32-23-11-15-27-12-4-5-18-31(27)32;1-2-12-28(13-3-1)37-23-24-38(41-37)30-15-10-16-31(26-30)39-33-17-6-8-19-35(33)40(36-20-9-7-18-34(36)39)32-22-21-27-11-4-5-14-29(27)25-32;;;/h1-36H;2*1-26H;3*1H4
InChIKeyBIZPGOXIZLAYEO-UHFFFAOYSA-N
XLogP43.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001922.62
LogP ≤ 543.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene with MolForge

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Related Compounds

2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
CID 162239926

Frequently Asked Questions

What is the IUPAC name of methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene?
The IUPAC name of methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene (CID 157364267) is methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene.
What is the SMILES notation for methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene?
The canonical SMILES for methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene is C.C.C.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)s2)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)s2)cc1.c1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)s5)c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4)s3)cccc2c1.
What is the InChIKey of methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene?
The InChIKey is BIZPGOXIZLAYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36S2.2C40H26S.3CH4/c1-4-20-41-37(14-1)17-11-27-44(41)54-33-32-53(59-54)40-30-31-46(56-35-34-55(60-56)45-28-12-18-38-15-2-5-21-42(38)45)52(36-40)58-50-25-9-7-23-48(50)57(49-24-8-10-26-51(49)58)47-29-13-19-39-16-3-6-22-43(39)47;1-2-13-28(14-3-1)37-24-25-38(41-37)29-16-10-17-30(26-29)39-33-19-6-8-21-35(33)40(36-22-9-7-20-34(36)39)32-23-11-15-27-12-4-5-18-31(27)32;1-2-12-28(13-3-1)37-23-24-38(41-37)30-15-10-16-31(26-30)39-33-17-6-8-19-35(33)40(36-20-9-7-18-34(36)39)32-22-21-27-11-4-5-14-29(27)25-32;;;/h1-36H;2*1-26H;3*1H4.
What are the key properties of methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene?
methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene has a molecular weight of 1922.62 g/mol, XLogP of 43.24, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene is sourced from PubChem (CID 157364267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).