10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole

C56H37NS — CID 146330106

IUPAC10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole
SMILESc1ccc(C2Nc3ccc4ccc5ccc(-c6cccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7c-8ccc8ccccc78)c6)cc5c4c3S2)cc1
InChIInChI=1S/C56H37NS/c1-4-14-39(15-5-1)55-57-51-32-29-38-25-23-37-24-26-42(34-49(37)52(38)54(51)58-55)40-16-12-17-41(33-40)43-28-30-47-48-31-27-36-13-10-11-22-46(36)53(48)56(50(47)35-43,44-18-6-2-7-19-44)45-20-8-3-9-21-45/h1-35,55,57H
InChIKeyIAVZKCYTFULTHN-UHFFFAOYSA-N
MW755.99 g/mol
LogP15.06
Rot. Bonds5

About 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole

10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole (PubChem CID 146330106) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole.

Molecular Properties

Compound Name10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole
PubChem CID146330106
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC Name10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole
SMILESc1ccc(C2Nc3ccc4ccc5ccc(-c6cccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7c-8ccc8ccccc78)c6)cc5c4c3S2)cc1
InChIInChI=1S/C56H37NS/c1-4-14-39(15-5-1)55-57-51-32-29-38-25-23-37-24-26-42(34-49(37)52(38)54(51)58-55)40-16-12-17-41(33-40)43-28-30-47-48-31-27-36-13-10-11-22-46(36)53(48)56(50(47)35-43,44-18-6-2-7-19-44)45-20-8-3-9-21-45/h1-35,55,57H
InChIKeyIAVZKCYTFULTHN-UHFFFAOYSA-N
XLogP15.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 515.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2-phenyl-10-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 146330041
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778060
15-(11,11-diphenylbenzo[a]fluoren-9-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 170025744
10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 159418356
2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
CID 166034498
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803928
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
4-(11,11-diphenylbenzo[a]fluoren-4-yl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 155465812

Frequently Asked Questions

What is the IUPAC name of 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole?
The IUPAC name of 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole (CID 146330106) is 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole.
What is the SMILES notation for 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole?
The canonical SMILES for 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole is c1ccc(C2Nc3ccc4ccc5ccc(-c6cccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7c-8ccc8ccccc78)c6)cc5c4c3S2)cc1.
What is the InChIKey of 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole?
The InChIKey is IAVZKCYTFULTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-4-14-39(15-5-1)55-57-51-32-29-38-25-23-37-24-26-42(34-49(37)52(38)54(51)58-55)40-16-12-17-41(33-40)43-28-30-47-48-31-27-36-13-10-11-22-46(36)53(48)56(50(47)35-43,44-18-6-2-7-19-44)45-20-8-3-9-21-45/h1-35,55,57H.
What are the key properties of 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole?
10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole has a molecular weight of 755.99 g/mol, XLogP of 15.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzothiazole is sourced from PubChem (CID 146330106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).