10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine

C50H42N2S — CID 90875628

IUPAC10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
SMILESCC1(C)c2cc(C=Cc3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)ccc2-c2ccc(N3C4=C(C=CCC4)Sc4ccccc43)cc21
InChIInChI=1S/C50H42N2S/c1-49(2)39-13-5-7-15-43(39)51(44-16-8-6-14-40(44)49)35-26-23-33(24-27-35)21-22-34-25-29-37-38-30-28-36(32-42(38)50(3,4)41(37)31-34)52-45-17-9-11-19-47(45)53-48-20-12-10-18-46(48)52/h5-9,11-17,19-32H,10,18H2,1-4H3
InChIKeyQPIKDRYPAQKHLM-UHFFFAOYSA-N
MW702.97 g/mol
LogP14.08
Rot. Bonds4

About 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine

10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine (PubChem CID 90875628) has the molecular formula C50H42N2S and a molecular weight of 702.97 g/mol. Its IUPAC name is 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine.

Molecular Properties

Compound Name10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
PubChem CID90875628
Molecular FormulaC50H42N2S
Molecular Weight702.97 g/mol
Exact Mass702.31
IUPAC Name10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
SMILESCC1(C)c2cc(C=Cc3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)ccc2-c2ccc(N3C4=C(C=CCC4)Sc4ccccc43)cc21
InChIInChI=1S/C50H42N2S/c1-49(2)39-13-5-7-15-43(39)51(44-16-8-6-14-40(44)49)35-26-23-33(24-27-35)21-22-34-25-29-37-38-30-28-36(32-42(38)50(3,4)41(37)31-34)52-45-17-9-11-19-47(45)53-48-20-12-10-18-46(48)52/h5-9,11-17,19-32H,10,18H2,1-4H3
InChIKeyQPIKDRYPAQKHLM-UHFFFAOYSA-N
XLogP14.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.97
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
10-[5-[(E)-2-[7'-(1,2-dihydrophenothiazin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]phenothiazine
CID 89071516
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
10-[6-(1,2-dihydrophenothiazin-10-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenanthren-9-ylanthracen-2-yl]phenothiazine
CID 89111189
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 89070799
10-[7-[(E)-2-[4-[10-(cyclohexen-1-yl)phenazin-5-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071110
10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine
CID 89071052
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887

Frequently Asked Questions

What is the IUPAC name of 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine?
The IUPAC name of 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine (CID 90875628) is 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine.
What is the SMILES notation for 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine?
The canonical SMILES for 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine is CC1(C)c2cc(C=Cc3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)ccc2-c2ccc(N3C4=C(C=CCC4)Sc4ccccc43)cc21.
What is the InChIKey of 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine?
The InChIKey is QPIKDRYPAQKHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2S/c1-49(2)39-13-5-7-15-43(39)51(44-16-8-6-14-40(44)49)35-26-23-33(24-27-35)21-22-34-25-29-37-38-30-28-36(32-42(38)50(3,4)41(37)31-34)52-45-17-9-11-19-47(45)53-48-20-12-10-18-46(48)52/h5-9,11-17,19-32H,10,18H2,1-4H3.
What are the key properties of 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine?
10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine has a molecular weight of 702.97 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine is sourced from PubChem (CID 90875628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).