4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C52H32N4OS — CID 118517161

IUPAC4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)nc7c6n5)ccc43)c2)cc1
InChIInChI=1S/C52H32N4OS/c1-3-12-33(13-4-1)34-14-11-17-38(30-34)56-44-20-9-10-21-49(44)58-50-32-36(23-27-45(50)56)42-26-29-48-52(54-42)51-47(57-48)28-25-41(53-51)35-22-24-40-39-18-7-8-19-43(39)55(46(40)31-35)37-15-5-2-6-16-37/h1-32H
InChIKeyFOYWYPFECSZSEK-UHFFFAOYSA-N
MW760.92 g/mol
LogP14.41
Rot. Bonds5

About 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 118517161) has the molecular formula C52H32N4OS and a molecular weight of 760.92 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID118517161
Molecular FormulaC52H32N4OS
Molecular Weight760.92 g/mol
Exact Mass760.23
IUPAC Name4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)nc7c6n5)ccc43)c2)cc1
InChIInChI=1S/C52H32N4OS/c1-3-12-33(13-4-1)34-14-11-17-38(30-34)56-44-20-9-10-21-49(44)58-50-32-36(23-27-45(50)56)42-26-29-48-52(54-42)51-47(57-48)28-25-41(53-51)35-22-24-40-39-18-7-8-19-43(39)55(46(40)31-35)37-15-5-2-6-16-37/h1-32H
InChIKeyFOYWYPFECSZSEK-UHFFFAOYSA-N
XLogP14.41
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.92
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 118517161) is 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)nc7c6n5)ccc43)c2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FOYWYPFECSZSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4OS/c1-3-12-33(13-4-1)34-14-11-17-38(30-34)56-44-20-9-10-21-49(44)58-50-32-36(23-27-45(50)56)42-26-29-48-52(54-42)51-47(57-48)28-25-41(53-51)35-22-24-40-39-18-7-8-19-43(39)55(46(40)31-35)37-15-5-2-6-16-37/h1-32H.
What are the key properties of 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 760.92 g/mol, XLogP of 14.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-2-yl)-12-[10-(3-phenylphenyl)phenothiazin-3-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 118517161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).