10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine

C48H30N4S2 — CID 138493324

IUPAC10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2c3ccccc3c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3nccnc23)cc1
InChIInChI=1S/C48H30N4S2/c1-2-12-36-35(11-1)45(31-21-25-33(26-22-31)51-37-13-3-7-17-41(37)53-42-18-8-4-14-38(42)51)47-48(50-30-29-49-47)46(36)32-23-27-34(28-24-32)52-39-15-5-9-19-43(39)54-44-20-10-6-16-40(44)52/h1-30H
InChIKeyCTOFWOYQYBNAOK-UHFFFAOYSA-N
MW726.93 g/mol
LogP13.99
Rot. Bonds4

About 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine

10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine (PubChem CID 138493324) has the molecular formula C48H30N4S2 and a molecular weight of 726.93 g/mol. Its IUPAC name is 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine
PubChem CID138493324
Molecular FormulaC48H30N4S2
Molecular Weight726.93 g/mol
Exact Mass726.19
IUPAC Name10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2c3ccccc3c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3nccnc23)cc1
InChIInChI=1S/C48H30N4S2/c1-2-12-36-35(11-1)45(31-21-25-33(26-22-31)51-37-13-3-7-17-41(37)53-42-18-8-4-14-38(42)51)47-48(50-30-29-49-47)46(36)32-23-27-34(28-24-32)52-39-15-5-9-19-43(39)54-44-20-10-6-16-40(44)52/h1-30H
InChIKeyCTOFWOYQYBNAOK-UHFFFAOYSA-N
XLogP13.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.93
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
CID 130396182
10-[4-[4-[3-(4-phenothiazin-10-ylphenyl)-4-pyridinyl]-3-pyridinyl]phenyl]phenothiazine
CID 122433873
10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine
CID 140852994
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
10-(4-thiophen-2-ylphenyl)phenothiazine
CID 142724599
10-(4-quinazolin-2-ylphenyl)phenothiazine
CID 130396246
10-(5-phenylbenzo[g]isoquinolin-10-yl)phenothiazine
CID 59183317
5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline
CID 126706239
10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220855
4,9-bis[4-(9,9-dimethylacridin-10-yl)phenyl]benzo[f][2,1,3]benzothiadiazole
CID 176727950
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
CID 89368097

Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine?
The IUPAC name of 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine (CID 138493324) is 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine?
The canonical SMILES for 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2c3ccccc3c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3nccnc23)cc1.
What is the InChIKey of 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine?
The InChIKey is CTOFWOYQYBNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4S2/c1-2-12-36-35(11-1)45(31-21-25-33(26-22-31)51-37-13-3-7-17-41(37)53-42-18-8-4-14-38(42)51)47-48(50-30-29-49-47)46(36)32-23-27-34(28-24-32)52-39-15-5-9-19-43(39)54-44-20-10-6-16-40(44)52/h1-30H.
What are the key properties of 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine?
10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine has a molecular weight of 726.93 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine is sourced from PubChem (CID 138493324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).