1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine

C34H20ClNOS — CID 153305766

IUPAC1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine
SMILESClc1cccc2c1N(c1cccc3ccccc13)c1ccc(-c3ccc4oc5ccccc5c4c3)cc1S2
InChIInChI=1S/C34H20ClNOS/c35-27-11-6-14-32-34(27)36(28-12-5-8-21-7-1-2-9-24(21)28)29-17-15-23(20-33(29)38-32)22-16-18-31-26(19-22)25-10-3-4-13-30(25)37-31/h1-20H
InChIKeyPFALBNAGMVJZFB-UHFFFAOYSA-N
MW526.06 g/mol
LogP10.99
Rot. Bonds2

About 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine

1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine (PubChem CID 153305766) has the molecular formula C34H20ClNOS and a molecular weight of 526.06 g/mol. Its IUPAC name is 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine.

Molecular Properties

Compound Name1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine
PubChem CID153305766
Molecular FormulaC34H20ClNOS
Molecular Weight526.06 g/mol
Exact Mass525.10
IUPAC Name1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine
SMILESClc1cccc2c1N(c1cccc3ccccc13)c1ccc(-c3ccc4oc5ccccc5c4c3)cc1S2
InChIInChI=1S/C34H20ClNOS/c35-27-11-6-14-32-34(27)36(28-12-5-8-21-7-1-2-9-24(21)28)29-17-15-23(20-33(29)38-32)22-16-18-31-26(19-22)25-10-3-4-13-30(25)37-31/h1-20H
InChIKeyPFALBNAGMVJZFB-UHFFFAOYSA-N
XLogP10.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.06
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(4-dibenzofuran-2-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-methyl-7-phenylphenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine
CID 160914738
14-dibenzofuran-2-yl-8-thia-1,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443231
3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
CID 71003998
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
CID 134475813
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
CID 147850677
18,24-di(dibenzofuran-4-yl)-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 134509818
10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 159949835
18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 157167170
9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
CID 177291361
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134475897

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine?
The IUPAC name of 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine (CID 153305766) is 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine.
What is the SMILES notation for 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine?
The canonical SMILES for 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine is Clc1cccc2c1N(c1cccc3ccccc13)c1ccc(-c3ccc4oc5ccccc5c4c3)cc1S2.
What is the InChIKey of 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine?
The InChIKey is PFALBNAGMVJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClNOS/c35-27-11-6-14-32-34(27)36(28-12-5-8-21-7-1-2-9-24(21)28)29-17-15-23(20-33(29)38-32)22-16-18-31-26(19-22)25-10-3-4-13-30(25)37-31/h1-20H.
What are the key properties of 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine?
1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine has a molecular weight of 526.06 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine is sourced from PubChem (CID 153305766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).