5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine

C43H29NS — CID 118668309

IUPAC5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine
SMILESc1ccc(-c2cc3c(c4c2N(c2ccccc2)c2ccccc2S4)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H29NS/c1-5-17-30(18-6-1)35-29-37-40(42-41(35)44(33-23-11-4-12-24-33)38-27-15-16-28-39(38)45-42)34-25-13-14-26-36(34)43(37,31-19-7-2-8-20-31)32-21-9-3-10-22-32/h1-29H
InChIKeyTVVOXUDZWMTRTQ-UHFFFAOYSA-N
MW591.78 g/mol
LogP11.65
Rot. Bonds4

About 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine

5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine (PubChem CID 118668309) has the molecular formula C43H29NS and a molecular weight of 591.78 g/mol. Its IUPAC name is 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine.

Molecular Properties

Compound Name5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine
PubChem CID118668309
Molecular FormulaC43H29NS
Molecular Weight591.78 g/mol
Exact Mass591.20
IUPAC Name5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine
SMILESc1ccc(-c2cc3c(c4c2N(c2ccccc2)c2ccccc2S4)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H29NS/c1-5-17-30(18-6-1)35-29-37-40(42-41(35)44(33-23-11-4-12-24-33)38-27-15-16-28-39(38)45-42)34-25-13-14-26-36(34)43(37,31-19-7-2-8-20-31)32-21-9-3-10-22-32/h1-29H
InChIKeyTVVOXUDZWMTRTQ-UHFFFAOYSA-N
XLogP11.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.78
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
5'-[4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-indeno[2,1-c]phenothiazine]
CID 142355841
5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]
CID 163959408
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine
CID 155333482
21-phenylspiro[14-thia-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249547
2,2,16-triphenyl-26-pyridin-4-yl-19-thia-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381591
5-chloro-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]
CID 165162448
2,2,26-triphenyl-16-pyridin-3-yl-19-thia-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381714
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166771
10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]
CID 163916715

Frequently Asked Questions

What is the IUPAC name of 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine?
The IUPAC name of 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine (CID 118668309) is 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine.
What is the SMILES notation for 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine?
The canonical SMILES for 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine is c1ccc(-c2cc3c(c4c2N(c2ccccc2)c2ccccc2S4)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine?
The InChIKey is TVVOXUDZWMTRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NS/c1-5-17-30(18-6-1)35-29-37-40(42-41(35)44(33-23-11-4-12-24-33)38-27-15-16-28-39(38)45-42)34-25-13-14-26-36(34)43(37,31-19-7-2-8-20-31)32-21-9-3-10-22-32/h1-29H.
What are the key properties of 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine?
5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine has a molecular weight of 591.78 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine is sourced from PubChem (CID 118668309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).