10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine

C41H29N3OS — CID 146533923

IUPAC10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nsc(-c4ccc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4)n3)ccc21
InChIInChI=1S/C41H29N3OS/c1-41(2)33-13-4-3-12-31(33)32-25-29(22-23-34(32)41)39-42-40(46-43-39)27-20-18-26(19-21-27)28-10-9-11-30(24-28)44-35-14-5-7-16-37(35)45-38-17-8-6-15-36(38)44/h3-25H,1-2H3
InChIKeyUANHJULKZHECCF-UHFFFAOYSA-N
MW611.77 g/mol
LogP11.42
Rot. Bonds4

About 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine

10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine (PubChem CID 146533923) has the molecular formula C41H29N3OS and a molecular weight of 611.77 g/mol. Its IUPAC name is 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine
PubChem CID146533923
Molecular FormulaC41H29N3OS
Molecular Weight611.77 g/mol
Exact Mass611.20
IUPAC Name10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nsc(-c4ccc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4)n3)ccc21
InChIInChI=1S/C41H29N3OS/c1-41(2)33-13-4-3-12-31(33)32-25-29(22-23-34(32)41)39-42-40(46-43-39)27-20-18-26(19-21-27)28-10-9-11-30(24-28)44-35-14-5-7-16-37(35)45-38-17-8-6-15-36(38)44/h3-25H,1-2H3
InChIKeyUANHJULKZHECCF-UHFFFAOYSA-N
XLogP11.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.77
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
CID 146534121
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine
CID 146533736
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
10-(3-phenylphenyl)-4-[3-[9-(3-pyrimidin-2-ylphenyl)carbazol-2-yl]-1,2,4-thiadiazol-5-yl]phenoxazine
CID 146533657
2-(9,9-dimethylfluoren-3-yl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164936930
10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
CID 146533799
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine
CID 146533940
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 158973199
3-[3,5-bis(3-phenoxazin-10-ylphenoxazin-10-yl)phenyl]-10,10-dimethylanthracen-9-one
CID 142288177

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine (CID 146533923) is 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine is CC1(C)c2ccccc2-c2cc(-c3nsc(-c4ccc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4)n3)ccc21.
What is the InChIKey of 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine?
The InChIKey is UANHJULKZHECCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3OS/c1-41(2)33-13-4-3-12-31(33)32-25-29(22-23-34(32)41)39-42-40(46-43-39)27-20-18-26(19-21-27)28-10-9-11-30(24-28)44-35-14-5-7-16-37(35)45-38-17-8-6-15-36(38)44/h3-25H,1-2H3.
What are the key properties of 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine?
10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine has a molecular weight of 611.77 g/mol, XLogP of 11.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine is sourced from PubChem (CID 146533923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).