2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine

C34H26N2S — CID 134431733

IUPAC2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine
SMILESC1=CC2=CC=C3NC4=C(C(c5ccc6c(c5)N(c5ccccc5)c5ccccc5S6)=CCC4)C3C2C=C1
InChIInChI=1S/C34H26N2S/c1-2-10-24(11-3-1)36-29-15-6-7-16-31(29)37-32-20-18-23(21-30(32)36)26-13-8-14-27-34(26)33-25-12-5-4-9-22(25)17-19-28(33)35-27/h1-7,9-13,15-21,25,33,35H,8,14H2
InChIKeyCZYNJHKKNQVHKM-UHFFFAOYSA-N
MW494.66 g/mol
LogP8.84
Rot. Bonds2

About 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine

2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine (PubChem CID 134431733) has the molecular formula C34H26N2S and a molecular weight of 494.66 g/mol. Its IUPAC name is 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine.

Molecular Properties

Compound Name2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine
PubChem CID134431733
Molecular FormulaC34H26N2S
Molecular Weight494.66 g/mol
Exact Mass494.18
IUPAC Name2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine
SMILESC1=CC2=CC=C3NC4=C(C(c5ccc6c(c5)N(c5ccccc5)c5ccccc5S6)=CCC4)C3C2C=C1
InChIInChI=1S/C34H26N2S/c1-2-10-24(11-3-1)36-29-15-6-7-16-31(29)37-32-20-18-23(21-30(32)36)26-13-8-14-27-34(26)33-25-12-5-4-9-22(25)17-19-28(33)35-27/h1-7,9-13,15-21,25,33,35H,8,14H2
InChIKeyCZYNJHKKNQVHKM-UHFFFAOYSA-N
XLogP8.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole
CID 134431507
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-[9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-6-phenothiazin-10-yl-10-(4-phenylphenyl)anthracen-2-yl]phenothiazine
CID 89111231
10-phenyl-2,3-dihydrophenothiazine
CID 70828454
10-[3-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]phenyl]phenothiazine
CID 170402986
10-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]phenothiazin-10-yl)phenyl]phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]phenothiazine
CID 126598912
perchloric acid;10-phenylphenothiazine
CID 71365783
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
10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine
CID 173485421
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
13-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7b,11a-dihydroindolo[2,3-a]phenothiazine
CID 70806237
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
CID 155791240

Frequently Asked Questions

What is the IUPAC name of 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine?
The IUPAC name of 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine (CID 134431733) is 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine.
What is the SMILES notation for 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine?
The canonical SMILES for 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine is C1=CC2=CC=C3NC4=C(C(c5ccc6c(c5)N(c5ccccc5)c5ccccc5S6)=CCC4)C3C2C=C1.
What is the InChIKey of 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine?
The InChIKey is CZYNJHKKNQVHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2S/c1-2-10-24(11-3-1)36-29-15-6-7-16-31(29)37-32-20-18-23(21-30(32)36)26-13-8-14-27-34(26)33-25-12-5-4-9-22(25)17-19-28(33)35-27/h1-7,9-13,15-21,25,33,35H,8,14H2.
What are the key properties of 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine?
2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine has a molecular weight of 494.66 g/mol, XLogP of 8.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine is sourced from PubChem (CID 134431733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).