2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene

C42H26S2 — CID 59342673

IUPAC2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
SMILESc1csc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cccs5)ccc4c(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C42H26S2/c1-3-9-29-23-33(15-13-27(29)7-1)41-35-19-17-32(40-12-6-22-44-40)26-38(35)42(34-16-14-28-8-2-4-10-30(28)24-34)36-20-18-31(25-37(36)41)39-11-5-21-43-39/h1-26H
InChIKeyNZJSDWDNSGKZIT-UHFFFAOYSA-N
MW594.80 g/mol
LogP13.09
Rot. Bonds4

About 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene

2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene (PubChem CID 59342673) has the molecular formula C42H26S2 and a molecular weight of 594.80 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
PubChem CID59342673
Molecular FormulaC42H26S2
Molecular Weight594.80 g/mol
Exact Mass594.15
IUPAC Name2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
SMILESc1csc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cccs5)ccc4c(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C42H26S2/c1-3-9-29-23-33(15-13-27(29)7-1)41-35-19-17-32(40-12-6-22-44-40)26-38(35)42(34-16-14-28-8-2-4-10-30(28)24-34)36-20-18-31(25-37(36)41)39-11-5-21-43-39/h1-26H
InChIKeyNZJSDWDNSGKZIT-UHFFFAOYSA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.80
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-(20-thiophen-2-yl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)thiophene
CID 58411506
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
CID 58963478
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene?
The IUPAC name of 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene (CID 59342673) is 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene.
What is the SMILES notation for 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene?
The canonical SMILES for 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene is c1csc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cccs5)ccc4c(-c4ccc5ccccc5c4)c3c2)c1.
What is the InChIKey of 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene?
The InChIKey is NZJSDWDNSGKZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26S2/c1-3-9-29-23-33(15-13-27(29)7-1)41-35-19-17-32(40-12-6-22-44-40)26-38(35)42(34-16-14-28-8-2-4-10-30(28)24-34)36-20-18-31(25-37(36)41)39-11-5-21-43-39/h1-26H.
What are the key properties of 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene?
2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene has a molecular weight of 594.80 g/mol, XLogP of 13.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene is sourced from PubChem (CID 59342673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).