(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone

C39H25NOS — CID 141434054

IUPAC(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C39H25NOS/c41-39(27-19-17-26(18-20-27)34-25-29-9-1-2-10-31(29)32-11-3-4-12-33(32)34)28-21-23-30(24-22-28)40-35-13-5-7-15-37(35)42-38-16-8-6-14-36(38)40/h1-25H
InChIKeyQHZSJUKZRIQISK-UHFFFAOYSA-N
MW555.70 g/mol
LogP10.83
Rot. Bonds4

About (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone

(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone (PubChem CID 141434054) has the molecular formula C39H25NOS and a molecular weight of 555.70 g/mol. Its IUPAC name is (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone.

Molecular Properties

Compound Name(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
PubChem CID141434054
Molecular FormulaC39H25NOS
Molecular Weight555.70 g/mol
Exact Mass555.17
IUPAC Name(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C39H25NOS/c41-39(27-19-17-26(18-20-27)34-25-29-9-1-2-10-31(29)32-11-3-4-12-33(32)34)28-21-23-30(24-22-28)40-35-13-5-7-15-37(35)42-38-16-8-6-14-36(38)40/h1-25H
InChIKeyQHZSJUKZRIQISK-UHFFFAOYSA-N
XLogP10.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.70
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone
CID 168665191
3-tert-butyl-10-[4-[3-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]phenothiazine
CID 166689734
1-(4-phenothiazin-10-ylphenyl)ethanone
CID 86206499
(3-bromophenyl)-(4-phenanthren-9-ylphenyl)methanone
CID 87092225
10-naphthalen-2-yl-3-(4-phenanthren-9-ylquinazolin-2-yl)phenothiazine
CID 159789134
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
CID 130396182
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine
CID 156551092

Frequently Asked Questions

What is the IUPAC name of (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone?
The IUPAC name of (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone (CID 141434054) is (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone.
What is the SMILES notation for (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone?
The canonical SMILES for (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone is O=C(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone?
The InChIKey is QHZSJUKZRIQISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25NOS/c41-39(27-19-17-26(18-20-27)34-25-29-9-1-2-10-31(29)32-11-3-4-12-33(32)34)28-21-23-30(24-22-28)40-35-13-5-7-15-37(35)42-38-16-8-6-14-36(38)40/h1-25H.
What are the key properties of (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone?
(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone has a molecular weight of 555.70 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone is sourced from PubChem (CID 141434054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).