10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine

C56H32N6O2S3 — CID 138489048

IUPAC10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(N6c7ccccc7Oc7ccccc76)s5)c5nccnc45)s3)c3nccnc23)s1
InChIInChI=1S/C56H32N6O2S3/c1-2-12-34-33(11-1)51(55-56(60-32-31-59-55)52(34)48-26-28-50(67-48)62-39-15-5-9-19-43(39)64-44-20-10-6-16-40(44)62)47-24-23-45(65-47)35-21-22-36(54-53(35)57-29-30-58-54)46-25-27-49(66-46)61-37-13-3-7-17-41(37)63-42-18-8-4-14-38(42)61/h1-32H
InChIKeyLMYVIWAMFDHJNX-UHFFFAOYSA-N
MW917.11 g/mol
LogP16.73
Rot. Bonds6

About 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine

10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine (PubChem CID 138489048) has the molecular formula C56H32N6O2S3 and a molecular weight of 917.11 g/mol. Its IUPAC name is 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine
PubChem CID138489048
Molecular FormulaC56H32N6O2S3
Molecular Weight917.11 g/mol
Exact Mass916.17
IUPAC Name10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(N6c7ccccc7Oc7ccccc76)s5)c5nccnc45)s3)c3nccnc23)s1
InChIInChI=1S/C56H32N6O2S3/c1-2-12-34-33(11-1)51(55-56(60-32-31-59-55)52(34)48-26-28-50(67-48)62-39-15-5-9-19-43(39)64-44-20-10-6-16-40(44)62)47-24-23-45(65-47)35-21-22-36(54-53(35)57-29-30-58-54)46-25-27-49(66-46)61-37-13-3-7-17-41(37)63-42-18-8-4-14-38(42)61/h1-32H
InChIKeyLMYVIWAMFDHJNX-UHFFFAOYSA-N
XLogP16.73
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.11
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine?
The IUPAC name of 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine (CID 138489048) is 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine.
What is the SMILES notation for 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine?
The canonical SMILES for 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(N6c7ccccc7Oc7ccccc76)s5)c5nccnc45)s3)c3nccnc23)s1.
What is the InChIKey of 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine?
The InChIKey is LMYVIWAMFDHJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6O2S3/c1-2-12-34-33(11-1)51(55-56(60-32-31-59-55)52(34)48-26-28-50(67-48)62-39-15-5-9-19-43(39)64-44-20-10-6-16-40(44)62)47-24-23-45(65-47)35-21-22-36(54-53(35)57-29-30-58-54)46-25-27-49(66-46)61-37-13-3-7-17-41(37)63-42-18-8-4-14-38(42)61/h1-32H.
What are the key properties of 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine?
10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine has a molecular weight of 917.11 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[8-[5-[5-(5-phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine is sourced from PubChem (CID 138489048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).