3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine

C45H28N2OS — CID 147850677

IUPAC3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Sc4cc(-c5cc(-c6ccc7oc8ccccc8c7c6)c6ccccc6n5)ccc43)cc2)cc1
InChIInChI=1S/C45H28N2OS/c1-2-10-29(11-3-1)30-18-22-33(23-19-30)47-40-15-7-9-17-44(40)49-45-27-32(20-24-41(45)47)39-28-36(34-12-4-6-14-38(34)46-39)31-21-25-43-37(26-31)35-13-5-8-16-42(35)48-43/h1-28H
InChIKeyHUTLWKMJIQEERO-UHFFFAOYSA-N
MW644.80 g/mol
LogP13.07
Rot. Bonds4

About 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine

3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine (PubChem CID 147850677) has the molecular formula C45H28N2OS and a molecular weight of 644.80 g/mol. Its IUPAC name is 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine.

Molecular Properties

Compound Name3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
PubChem CID147850677
Molecular FormulaC45H28N2OS
Molecular Weight644.80 g/mol
Exact Mass644.19
IUPAC Name3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Sc4cc(-c5cc(-c6ccc7oc8ccccc8c7c6)c6ccccc6n5)ccc43)cc2)cc1
InChIInChI=1S/C45H28N2OS/c1-2-10-29(11-3-1)30-18-22-33(23-19-30)47-40-15-7-9-17-44(40)49-45-27-32(20-24-41(45)47)39-28-36(34-12-4-6-14-38(34)46-39)31-21-25-43-37(26-31)35-13-5-8-16-42(35)48-43/h1-28H
InChIKeyHUTLWKMJIQEERO-UHFFFAOYSA-N
XLogP13.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
CID 71003998
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine
CID 153305766
2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
CID 142288504
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
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134475897
14-[7-(10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459653
11-(3-phenothiazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513117

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine?
The IUPAC name of 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine (CID 147850677) is 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine.
What is the SMILES notation for 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine?
The canonical SMILES for 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine is c1ccc(-c2ccc(N3c4ccccc4Sc4cc(-c5cc(-c6ccc7oc8ccccc8c7c6)c6ccccc6n5)ccc43)cc2)cc1.
What is the InChIKey of 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine?
The InChIKey is HUTLWKMJIQEERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2OS/c1-2-10-29(11-3-1)30-18-22-33(23-19-30)47-40-15-7-9-17-44(40)49-45-27-32(20-24-41(45)47)39-28-36(34-12-4-6-14-38(34)46-39)31-21-25-43-37(26-31)35-13-5-8-16-42(35)48-43/h1-28H.
What are the key properties of 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine?
3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine has a molecular weight of 644.80 g/mol, XLogP of 13.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine is sourced from PubChem (CID 147850677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).