12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole

C36H24N2O2S — CID 118442329

IUPAC12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole
SMILESC1=Cc2c(n(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3c4c(ccc23)Oc2ccccc2O4)CC1
InChIInChI=1S/C36H24N2O2S/c1-2-10-27-25(9-1)26-21-22-32-36(40-31-14-6-5-13-30(31)39-32)35(26)38(27)24-19-17-23(18-20-24)37-28-11-3-7-15-33(28)41-34-16-8-4-12-29(34)37/h1,3-9,11-22H,2,10H2
InChIKeyJWEBRATWLOBZDD-UHFFFAOYSA-N
MW548.67 g/mol
LogP10.42
Rot. Bonds2

About 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole

12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole (PubChem CID 118442329) has the molecular formula C36H24N2O2S and a molecular weight of 548.67 g/mol. Its IUPAC name is 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole
PubChem CID118442329
Molecular FormulaC36H24N2O2S
Molecular Weight548.67 g/mol
Exact Mass548.16
IUPAC Name12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole
SMILESC1=Cc2c(n(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3c4c(ccc23)Oc2ccccc2O4)CC1
InChIInChI=1S/C36H24N2O2S/c1-2-10-27-25(9-1)26-21-22-32-36(40-31-14-6-5-13-30(31)39-32)35(26)38(27)24-19-17-23(18-20-24)37-28-11-3-7-15-33(28)41-34-16-8-4-12-29(34)37/h1,3-9,11-22H,2,10H2
InChIKeyJWEBRATWLOBZDD-UHFFFAOYSA-N
XLogP10.42
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.67
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118442312
3,11-diphenyl-3,11,22-triaza-1-boraoctacyclo[13.13.2.02,10.04,9.012,29.016,21.022,30.023,28]triaconta-2(10),4,6,8,12(29),13,15(30),16(21),17,23,25,27-dodecaene
CID 174036250
8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole
CID 135159497
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
CID 145390318
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine
CID 163490862
9,9-dimethyl-10-phenyl-2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]acridine;10-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenoxazine;10-phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 161400773
N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025
2-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-2-yl]-9H-carbazole
CID 144578976
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360

Frequently Asked Questions

What is the IUPAC name of 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole?
The IUPAC name of 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole (CID 118442329) is 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole.
What is the SMILES notation for 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole?
The canonical SMILES for 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole is C1=Cc2c(n(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3c4c(ccc23)Oc2ccccc2O4)CC1.
What is the InChIKey of 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole?
The InChIKey is JWEBRATWLOBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2S/c1-2-10-27-25(9-1)26-21-22-32-36(40-31-14-6-5-13-30(31)39-32)35(26)38(27)24-19-17-23(18-20-24)37-28-11-3-7-15-33(28)41-34-16-8-4-12-29(34)37/h1,3-9,11-22H,2,10H2.
What are the key properties of 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole?
12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole has a molecular weight of 548.67 g/mol, XLogP of 10.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole is sourced from PubChem (CID 118442329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).