10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine

C42H27N3OS — CID 146533940

IUPAC10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3nsc(-c4ccc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C42H27N3OS/c1-3-9-28(10-4-1)33-19-23-37-39(26-33)46-40-27-34(29-11-5-2-6-12-29)20-24-38(40)45(37)36-21-17-31(18-22-36)41-43-42(47-44-41)35-16-15-30-13-7-8-14-32(30)25-35/h1-27H
InChIKeyROKOEJKVFZWVDN-UHFFFAOYSA-N
MW621.77 g/mol
LogP11.93
Rot. Bonds5

About 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine

10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine (PubChem CID 146533940) has the molecular formula C42H27N3OS and a molecular weight of 621.77 g/mol. Its IUPAC name is 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine.

Molecular Properties

Compound Name10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine
PubChem CID146533940
Molecular FormulaC42H27N3OS
Molecular Weight621.77 g/mol
Exact Mass621.19
IUPAC Name10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3nsc(-c4ccc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C42H27N3OS/c1-3-9-28(10-4-1)33-19-23-37-39(26-33)46-40-27-34(29-11-5-2-6-12-29)20-24-38(40)45(37)36-21-17-31(18-22-36)41-43-42(47-44-41)35-16-15-30-13-7-8-14-32(30)25-35/h1-27H
InChIKeyROKOEJKVFZWVDN-UHFFFAOYSA-N
XLogP11.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.77
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
CID 146533799
10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine
CID 146533946
3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120
10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide
CID 146533671
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine
CID 146533923

Frequently Asked Questions

What is the IUPAC name of 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine?
The IUPAC name of 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine (CID 146533940) is 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine.
What is the SMILES notation for 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine?
The canonical SMILES for 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine is c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3nsc(-c4ccc5ccccc5c4)n3)cc2)cc1.
What is the InChIKey of 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine?
The InChIKey is ROKOEJKVFZWVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3OS/c1-3-9-28(10-4-1)33-19-23-37-39(26-33)46-40-27-34(29-11-5-2-6-12-29)20-24-38(40)45(37)36-21-17-31(18-22-36)41-43-42(47-44-41)35-16-15-30-13-7-8-14-32(30)25-35/h1-27H.
What are the key properties of 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine?
10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine has a molecular weight of 621.77 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine is sourced from PubChem (CID 146533940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).